Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
7,098 | C-22157-7735-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46630000
_cell_length_b 7.17201000
_cell_length_c 8.81726000
_cell_angle_alpha 132.44617000
_cell_angle_beta 89.99285000
_cell_angle_gamma 110.13560000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 101.80288481
_cell_formula_units_Z 18
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.05801733 0.90113538 1.09042601 1
C C1 1 0.36425558 0.20673429 0.27799903 1
C C2 1 0.82686312 0.67007637 0.48696658 1
C C3 1 0.59332262 0.43395566 0.88205013 1
C C4 1 0.86080905 0.70164430 1.11248979 1
C C5 1 0.31801978 0.16114595 0.80692352 1
C C6 1 -0.02764884 0.31507016 0.42270818 1
C C7 1 -0.06070713 0.27934830 0.57166231 1
C C8 1 0.36499907 0.70610457 0.21979396 1
C C9 1 0.60135709 0.44102943 0.72069503 1
C C10 1 0.62865978 -0.02990879 0.47322384 1
C C11 1 1.10319155 0.94479274 0.55939747 1
C C12 1 0.79514380 0.13829819 0.89736876 1
C C13 1 0.49675860 0.83895330 0.80918164 1
C C14 1 0.06115082 0.40510814 0.14784020 1
C C15 1 0.56105414 0.40512130 0.24625669 1
C C16 1 0.29321373 0.63631092 0.56499812 1
C C17 1 0.92509591 0.76663340 0.86424734 1
| -154.318382 |
727 | C-96719-5209-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.69121000
_cell_length_b 4.24591000
_cell_length_c 4.80967000
_cell_angle_alpha 72.09727000
_cell_angle_beta 88.55305000
_cell_angle_gamma 121.67860000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.30658474
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.98716495 0.63431211 0.60493675 1
C C1 1 0.42745577 1.07436485 0.10608100 1
C C2 1 1.04398381 0.69165437 1.10632263 1
C C3 1 0.77534070 0.42093726 0.41320796 1
C C4 1 0.39142469 0.03827384 0.41333398 1
C C5 1 -0.16859712 0.47821748 0.91483887 1
| -154.10267 |
4,621 | C-28252-6084-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26913000
_cell_length_b 3.63106000
_cell_length_c 3.27493000
_cell_angle_alpha 104.51654000
_cell_angle_beta 80.82859000
_cell_angle_gamma 104.46583000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.24586808
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.69734765 -0.01258116 0.08931650 1
C C1 1 0.06930012 0.60603394 0.50560941 1
C C2 1 0.75237904 0.60578176 0.82295684 1
C C3 1 0.33618052 -0.01240064 0.45066767 1
C C4 1 0.12315027 0.22486189 0.23669396 1
C C5 1 0.48370321 0.22466501 0.87641771 1
| -154.199225 |
4,068 | C-96692-7228-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48688000
_cell_length_b 3.51599000
_cell_length_c 4.30358000
_cell_angle_alpha 114.10253000
_cell_angle_beta 106.78251000
_cell_angle_gamma 90.00566000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.58490753
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.33041004 0.35342663 0.83681205 1
C C1 1 0.16345957 0.43641725 0.50344523 1
C C2 1 0.99699773 0.02005175 0.17012065 1
C C3 1 0.66359040 0.68672162 0.50341881 1
C C4 1 0.49687188 0.76979213 0.17013663 1
C C5 1 0.83027921 0.10312226 -0.16316153 1
| -154.541375 |
1,419 | C-56505-7826-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06843000
_cell_length_b 4.66783000
_cell_length_c 4.71719000
_cell_angle_alpha 89.12008000
_cell_angle_beta 70.21004000
_cell_angle_gamma 67.38054000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.16807120
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.50337369 0.83470741 0.15472996 1
C C1 1 0.26144786 1.07634131 0.39653676 1
C C2 1 0.26501788 0.38916650 0.39218087 1
C C3 1 0.78780396 0.36220217 0.86863406 1
C C4 1 0.49904081 0.52260592 0.15910949 1
C C5 1 -0.02596036 0.54983702 0.68240230 1
C C6 1 0.81494136 0.84001766 0.84332947 1
C C7 1 0.95259900 0.07067722 0.70886529 1
| -154.195203 |
8,168 | C-126189-1477-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44166000
_cell_length_b 4.53853000
_cell_length_c 5.41647000
_cell_angle_alpha 76.90900000
_cell_angle_beta 89.98729000
_cell_angle_gamma 89.99859000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.46296544
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.34337635 0.13998915 -0.03221883 1
C C1 1 -0.15669598 0.39885236 0.35036889 1
C C2 1 0.84313115 0.02636385 0.36542997 1
C C3 1 0.84365712 0.60086229 0.78313657 1
C C4 1 0.84364117 0.90415351 0.64574779 1
C C5 1 0.84353812 0.11472569 0.80314148 1
C C6 1 0.34340448 0.49608286 0.95475520 1
C C7 1 0.34324756 0.56722071 0.21485493 1
C C8 1 0.84358056 0.39568984 0.61794448 1
C C9 1 0.34318407 0.93228134 0.22938563 1
| -154.076738 |
9,529 | C-90821-8000-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44209000
_cell_length_b 3.38268000
_cell_length_c 11.29964000
_cell_angle_alpha 88.93210000
_cell_angle_beta 77.58699000
_cell_angle_gamma 68.77522000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 84.79857724
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.58938755 0.68585307 0.60033848 1
C C1 1 0.33421387 0.25845390 0.06314111 1
C C2 1 0.54620119 0.53642050 0.71807600 1
C C3 1 0.64911464 1.01838603 0.37119679 1
C C4 1 0.10555592 -0.23056227 0.54353885 1
C C5 1 0.01722571 0.47616155 0.77706478 1
C C6 1 0.13276442 0.93542679 0.42841525 1
C C7 1 0.98661529 0.07872339 0.00033865 1
C C8 1 0.22279927 0.22236176 0.19362398 1
C C9 1 0.69601434 0.16087997 0.25226636 1
C C10 1 0.24262630 0.62759593 -0.02938615 1
C C11 1 0.89646730 0.44578989 0.90795520 1
| -154.249583 |
9,192 | C-40093-9787-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44748000
_cell_length_b 4.19485000
_cell_length_c 6.62242000
_cell_angle_alpha 93.73453000
_cell_angle_beta 89.98401000
_cell_angle_gamma 90.00567000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.84675874
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.97595974 0.29659622 0.78876856 1
C C1 1 0.47404989 0.16795995 0.14066471 1
C C2 1 0.47436339 0.80701790 0.52628046 1
C C3 1 0.97534018 0.96077487 0.84354266 1
C C4 1 0.47392745 0.48360108 0.17254850 1
C C5 1 0.97413027 -0.01329084 0.08601321 1
C C6 1 -0.02565422 0.78190917 0.42656343 1
C C7 1 -0.02603687 0.67672225 0.20358076 1
C C8 1 0.47610237 0.45140372 0.77953310 1
C C9 1 0.47535651 0.79988568 0.75363831 1
| -154.22309 |
7,033 | C-73621-2756-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50828000
_cell_length_b 3.41785000
_cell_length_c 6.35703000
_cell_angle_alpha 97.94533000
_cell_angle_beta 90.03637000
_cell_angle_gamma 111.58772000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.11059416
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.68296442 0.05381828 0.42487789 1
C C1 1 0.51853407 0.72548894 0.58908606 1
C C2 1 1.07802501 0.84596141 0.32139703 1
C C3 1 0.57712038 0.84495420 0.82143655 1
C C4 1 0.91392299 0.51788704 0.48521147 1
C C5 1 0.18187584 0.05240891 0.92500685 1
C C6 1 0.41321029 0.51653327 0.98534493 1
C C7 1 0.01812520 0.72448745 1.08913782 1
| -154.122968 |
6,449 | C-189742-1338-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04934000
_cell_length_b 2.42977000
_cell_length_c 6.41480000
_cell_angle_alpha 100.88566000
_cell_angle_beta 112.24868000
_cell_angle_gamma 90.44635000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.03370493
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.56961524 0.08366092 0.77296765 1
C C1 1 0.56735302 0.19448202 -0.00548729 1
C C2 1 0.56928766 0.86126924 0.32835557 1
C C3 1 0.56956181 0.52837290 0.66180380 1
C C4 1 0.57030724 0.75019605 0.10656359 1
C C5 1 0.57148624 0.41694646 0.44022339 1
| -154.440033 |
9,083 | C-47662-4096-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33460000
_cell_length_b 3.31876000
_cell_length_c 5.74277000
_cell_angle_alpha 125.41792000
_cell_angle_beta 106.80783000
_cell_angle_gamma 90.11384000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.39494294
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.09643049 0.83272569 0.95034910 1
C C1 1 0.63495629 0.72725674 0.78400830 1
C C2 1 0.95999406 1.09170991 0.43325166 1
C C3 1 0.58661381 0.64585659 0.28034290 1
C C4 1 0.25571143 -0.01559589 0.26694637 1
C C5 1 0.61771505 0.43820823 0.45328398 1
C C6 1 0.27271745 0.38042970 0.76370007 1
C C7 1 0.41364071 0.17187705 -0.06355948 1
| -154.146923 |
1,607 | C-73626-2668-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38448000
_cell_length_b 4.88708000
_cell_length_c 3.31918000
_cell_angle_alpha 72.70666000
_cell_angle_beta 131.40094000
_cell_angle_gamma 116.70833000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.65603613
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.46545097 0.71580964 0.54007749 1
C C1 1 0.01053911 0.54993786 0.08601420 1
C C2 1 0.65741086 0.54964166 0.08619562 1
C C3 1 0.82263330 0.71602227 0.53988079 1
C C4 1 0.12341426 0.03222236 0.53947173 1
C C5 1 0.48076065 0.03211294 0.53977997 1
C C6 1 0.48168087 0.19819790 1.08574953 1
C C7 1 0.83483199 0.19844588 0.08559018 1
| -154.162916 |
1,546 | C-189730-9377-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47788000
_cell_length_b 2.47797000
_cell_length_c 6.31186000
_cell_angle_alpha 101.32322000
_cell_angle_beta 101.33030000
_cell_angle_gamma 59.98544000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.68408634
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.88468702 0.70926449 -0.01738048 1
C C1 1 0.44071550 0.26257120 0.64737159 1
C C2 1 -0.03080606 0.79125782 0.23372384 1
C C3 1 0.74610876 0.56747476 0.56428137 1
C C4 1 0.52357795 0.34782750 0.89836648 1
C C5 1 0.66393373 0.48492013 0.31716441 1
| -154.528147 |
5,433 | C-28242-4049-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48436000
_cell_length_b 4.59890000
_cell_length_c 5.48488000
_cell_angle_alpha 110.45544000
_cell_angle_beta 89.96481000
_cell_angle_gamma 74.33270000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.21926993
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48905860 0.14777421 0.30254938 1
C C1 1 0.94950133 0.23008536 0.69858466 1
C C2 1 0.32178638 0.48171312 0.08215797 1
C C3 1 0.71583536 0.69444039 0.51434491 1
C C4 1 0.20736620 0.71275580 0.93878392 1
C C5 1 -0.07598014 0.27902398 -0.01630502 1
C C6 1 0.53178431 0.06548053 0.55072612 1
C C7 1 0.29797772 0.52990988 0.36672827 1
C C8 1 0.75744846 0.61345570 0.76365167 1
C C9 1 0.03899396 0.04898603 0.12818143 1
| -154.38258 |
9,646 | C-193962-9528-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51214000
_cell_length_b 5.92403000
_cell_length_c 4.10917000
_cell_angle_alpha 69.68157000
_cell_angle_beta 90.00684000
_cell_angle_gamma 90.03581000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.34754363
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.24733043 0.35418949 0.22033784 1
C C1 1 0.25281110 0.74305131 0.39736616 1
C C2 1 0.25089787 0.98227962 0.75404042 1
C C3 1 0.75340606 0.60999129 -0.03500359 1
C C4 1 1.25136606 0.22193562 0.78647270 1
C C5 1 0.75317271 0.61051307 0.59187477 1
C C6 1 0.25287813 0.74273628 1.02641480 1
C C7 1 0.75254236 0.35457497 0.59180133 1
C C8 1 0.25120346 0.98237182 0.43044893 1
C C9 1 0.25151638 0.22162494 0.15827494 1
| -154.351742 |
3,179 | C-170380-2255-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51154000
_cell_length_b 4.11302000
_cell_length_c 4.19130000
_cell_angle_alpha 119.38839000
_cell_angle_beta 72.40220000
_cell_angle_gamma 89.98677000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.37891627
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.85663419 0.73396242 -0.18542719 1
C C1 1 0.66325872 0.77760325 0.20269170 1
C C2 1 0.66282428 0.44703782 0.20284252 1
C C3 1 0.85646948 0.10318512 0.81499046 1
C C4 1 0.47049090 0.49069255 0.59034679 1
C C5 1 0.47033673 0.12203855 0.59065692 1
| -154.232857 |
4,901 | C-126140-1845-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50600000
_cell_length_b 4.97311000
_cell_length_c 7.28084000
_cell_angle_alpha 86.15671000
_cell_angle_beta 77.51017000
_cell_angle_gamma 64.87267000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.17565059
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.01192864 0.25839982 0.15212296 1
C C1 1 0.73871478 0.40305465 0.34849950 1
C C2 1 0.54225766 0.43771412 0.75459106 1
C C3 1 0.47695011 0.69117950 0.25105449 1
C C4 1 0.76042452 0.54514664 0.05313250 1
C C5 1 1.05545281 0.53258104 0.64254553 1
C C6 1 0.26797467 0.61097744 0.94056956 1
C C7 1 0.47764983 0.00169057 0.48617699 1
C C8 1 0.23100345 0.34376904 0.46134058 1
C C9 1 -0.21099642 0.86777102 0.28323289 1
C C10 1 0.79689616 0.09043637 0.77487289 1
C C11 1 0.69223588 1.08164978 0.12314189 1
C C12 1 0.94235544 -0.05933240 0.92984352 1
C C13 1 0.95941436 0.90287821 0.59782245 1
| -154.117786 |
6,541 | C-40130-2113-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47510000
_cell_length_b 3.72223000
_cell_length_c 4.24827000
_cell_angle_alpha 64.00770000
_cell_angle_beta 89.99531000
_cell_angle_gamma 89.98487000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.18006998
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.74752098 -0.00772811 0.81432948 1
C C1 1 0.24749190 0.97271111 0.03703066 1
C C2 1 0.74759988 0.42694535 0.53626669 1
C C3 1 0.74736995 0.58423306 0.81402436 1
C C4 1 0.24761931 0.53762599 0.31499593 1
C C5 1 0.24747228 0.38090370 1.03690888 1
| -154.284759 |
2,737 | C-170364-9439-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30993000
_cell_length_b 3.63357000
_cell_length_c 4.02606000
_cell_angle_alpha 112.10020000
_cell_angle_beta 81.58769000
_cell_angle_gamma 84.61510000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.79112272
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.02629117 0.73120678 0.41184423 1
C C1 1 0.83439539 0.13716084 0.60516167 1
C C2 1 0.52909590 0.17268652 0.91324231 1
C C3 1 0.52930470 0.79127665 0.91354907 1
C C4 1 0.33684091 0.57857108 0.10633064 1
C C5 1 0.83372704 0.51888623 0.60489819 1
| -154.119267 |
9,752 | C-75999-4861-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43081000
_cell_length_b 6.18168000
_cell_length_c 6.18514000
_cell_angle_alpha 61.04891000
_cell_angle_beta 95.02259000
_cell_angle_gamma 84.76167000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 80.05580454
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.22398734 0.17400092 0.71935407 1
C C1 1 0.48717269 1.04672047 0.26015061 1
C C2 1 0.92883864 0.15375864 0.15222480 1
C C3 1 0.19930131 0.61371203 0.28046342 1
C C4 1 0.18927152 0.64666929 0.50347066 1
C C5 1 0.69155343 0.61202097 0.93606572 1
C C6 1 0.68496344 0.60809671 0.17365128 1
C C7 1 0.74010671 1.06659569 0.71436995 1
C C8 1 0.73064129 0.82893881 0.71858435 1
C C9 1 0.23112905 0.39685747 0.75279937 1
C C10 1 0.77351899 0.38610239 0.90711627 1
C C11 1 0.64486139 0.80104553 0.49268181 1
| -154.159316 |
7,405 | C-184031-5230-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48192000
_cell_length_b 3.84634000
_cell_length_c 3.74177000
_cell_angle_alpha 89.91893000
_cell_angle_beta 89.99369000
_cell_angle_gamma 89.98726000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.72005268
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.39357576 0.73090135 0.88602639 1
C C1 1 0.89359457 0.73149090 0.11543697 1
C C2 1 0.89360071 0.02677009 0.38145672 1
C C3 1 0.89364720 0.43659374 0.38243926 1
C C4 1 0.39357763 0.43590811 0.61993675 1
C C5 1 0.39353554 1.02610831 0.61905370 1
| -154.158955 |
5,892 | C-13675-5908-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48434000
_cell_length_b 3.82384000
_cell_length_c 5.98223000
_cell_angle_alpha 59.63667000
_cell_angle_beta 78.04307000
_cell_angle_gamma 71.02254000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.30559428
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.12399106 1.00339286 0.03874209 1
C C1 1 0.63187767 0.42831087 0.59403636 1
C C2 1 0.84755685 0.05662599 0.53761270 1
C C3 1 0.45863295 0.94016150 0.43136600 1
C C4 1 0.51345026 1.11947935 0.14485056 1
C C5 1 1.08549871 0.35730815 0.75905324 1
C C6 1 0.33745487 0.63207230 0.98189514 1
C C7 1 0.88354282 0.70320838 0.81679872 1
| -154.221758 |
6,561 | C-13644-8695-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.41795000
_cell_length_b 2.61946000
_cell_length_c 8.62275000
_cell_angle_alpha 104.92502000
_cell_angle_beta 81.99286000
_cell_angle_gamma 90.20123000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 52.22724765
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.32339252 0.41605229 0.36995399 1
C C1 1 0.56072304 0.52352650 0.88445477 1
C C2 1 0.69571360 0.75561304 0.62787384 1
C C3 1 0.40318875 0.11310204 0.20779273 1
C C4 1 0.64840580 0.32116583 0.70805375 1
C C5 1 1.02230787 0.66093806 -0.03493561 1
C C6 1 -0.05673460 0.96217844 0.12791205 1
C C7 1 0.78416733 0.55325709 0.45118108 1
| -154.086913 |
7,657 | C-79930-5130-64 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13299000
_cell_length_b 6.20045000
_cell_length_c 6.71145000
_cell_angle_alpha 115.82863000
_cell_angle_beta 98.52911000
_cell_angle_gamma 101.87624000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 145.86122412
_cell_formula_units_Z 20
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53131912 0.34963463 0.29496571 1
C C1 1 0.11033453 0.77592774 0.19884163 1
C C2 1 0.65333896 0.23726365 0.42218544 1
C C3 1 0.86291218 0.02064371 0.07447701 1
C C4 1 0.13700204 0.74683806 0.83146609 1
C C5 1 0.57618976 0.29976238 0.07457084 1
C C6 1 0.25925408 0.62472122 0.53867501 1
C C7 1 0.31481717 0.57640623 0.72703779 1
C C8 1 0.76848256 0.11131275 0.72526928 1
C C9 1 0.43126638 0.44589254 0.99809915 1
C C10 1 0.46186062 0.42582328 0.78542096 1
C C11 1 0.34874236 0.52530262 0.34227424 1
C C12 1 0.93461460 0.94594542 0.58484739 1
C C13 1 0.62859353 0.26090799 0.64534169 1
C C14 1 -0.03623382 0.92511271 0.37166232 1
C C15 1 0.28252530 0.59382220 0.17044481 1
C C16 1 0.08271933 0.79605068 0.64363725 1
C C17 1 0.74283240 0.13473562 0.94837890 1
C C18 1 0.04355997 0.84396919 0.02656723 1
C C19 1 0.81975232 1.07189116 0.29545146 1
| -154.186318 |
590 | C-47658-6013-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12104000
_cell_length_b 4.67587000
_cell_length_c 4.61317000
_cell_angle_alpha 87.48860000
_cell_angle_beta 104.98585000
_cell_angle_gamma 118.57073000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.86022673
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.51950344 0.01173424 0.38427993 1
C C1 1 0.18807810 0.67804993 0.38310516 1
C C2 1 0.43929848 1.17781203 0.13285768 1
C C3 1 1.02194508 1.01158892 0.88356821 1
C C4 1 0.77085098 0.51145041 0.13380904 1
C C5 1 0.27071726 0.51186209 0.63394885 1
C C6 1 0.69047010 0.67786810 0.88252177 1
C C7 1 -0.06071483 0.17814289 0.63282356 1
| -154.439286 |
5,874 | C-13913-1160-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51441000
_cell_length_b 3.32082000
_cell_length_c 3.51465000
_cell_angle_alpha 90.00418000
_cell_angle_beta 60.07589000
_cell_angle_gamma 90.00442000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.55020261
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.09192458 0.49815527 0.95912659 1
C C1 1 0.55575799 0.66447514 0.72703913 1
C C2 1 0.55548785 0.99816044 0.42233454 1
C C3 1 0.86004265 0.33241337 0.42252761 1
C C4 1 0.09183433 0.16428322 0.65437550 1
C C5 1 0.78782441 0.83234586 0.95894052 1
| -154.409382 |
5,422 | C-76024-6052-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76516000
_cell_length_b 4.20889000
_cell_length_c 4.08078000
_cell_angle_alpha 86.46794000
_cell_angle_beta 73.12504000
_cell_angle_gamma 73.77963000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 59.40742445
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53712515 0.56048915 0.46111938 1
C C1 1 0.72564551 0.93314728 0.07314171 1
C C2 1 0.35707692 -0.06013043 0.08058074 1
C C3 1 0.53993044 0.31709900 0.69826125 1
C C4 1 0.22299841 0.71213562 0.31442014 1
C C5 1 0.22581799 0.17074160 0.85065490 1
C C6 1 0.85735745 0.16355476 0.84189724 1
C C7 1 0.85432622 0.70489523 0.30663264 1
| -154.09302 |
5,914 | C-157705-2959-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46217000
_cell_length_b 3.37795000
_cell_length_c 5.28708000
_cell_angle_alpha 86.26801000
_cell_angle_beta 90.10164000
_cell_angle_gamma 69.20577000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.00699252
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.85728936 0.63607683 0.64299822 1
C C1 1 -0.00408168 0.34781913 0.17065831 1
C C2 1 0.40361135 0.53621373 1.04508132 1
C C3 1 0.37404929 0.60152253 0.76918210 1
C C4 1 0.22347369 0.89453341 0.24143361 1
C C5 1 0.81681899 0.70568687 0.36737054 1
| -154.155407 |
7,065 | C-28244-7753-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44767000
_cell_length_b 4.20180000
_cell_length_c 6.61411000
_cell_angle_alpha 85.74365000
_cell_angle_beta 90.04830000
_cell_angle_gamma 90.01060000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.83597065
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.06423269 0.30960386 0.21923011 1
C C1 1 0.06593687 0.80054712 0.57799113 1
C C2 1 0.56595472 0.64468523 0.57155874 1
C C3 1 0.56503255 0.91857764 0.93261941 1
C C4 1 0.56564179 0.29686579 0.54675534 1
C C5 1 1.06443405 0.40984012 0.99358167 1
C C6 1 0.06495957 0.10009571 0.87974115 1
C C7 1 0.56458853 0.28786460 0.31961569 1
C C8 1 0.06577207 0.13364834 0.63610943 1
C C9 1 0.56440425 0.60224910 0.96018713 1
| -154.22178 |
6,146 | C-126187-3348-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43070000
_cell_length_b 3.05813000
_cell_length_c 6.96050000
_cell_angle_alpha 96.30891000
_cell_angle_beta 111.78317000
_cell_angle_gamma 110.66143000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.19406853
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.75934103 0.02705673 0.29342174 1
C C1 1 0.42703053 0.47550933 0.73755472 1
C C2 1 0.75987462 0.36181602 0.62666271 1
C C3 1 0.75977084 0.69485179 0.96000981 1
C C4 1 0.42641359 1.14047408 0.40433209 1
C C5 1 0.42648858 -0.19265815 0.07097793 1
| -154.45081 |
4,485 | C-142757-9743-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48910000
_cell_length_b 4.16566000
_cell_length_c 7.43729000
_cell_angle_alpha 117.63730000
_cell_angle_beta 99.63195000
_cell_angle_gamma 90.01293000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.08554811
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.58279182 0.10381857 0.67900349 1
C C1 1 0.31992220 0.19840822 0.15795219 1
C C2 1 0.24150824 0.34368468 1.00093610 1
C C3 1 0.81907769 -0.02644035 0.15647274 1
C C4 1 0.12873113 0.02806985 0.77164526 1
C C5 1 1.10259963 0.63392219 0.71602073 1
C C6 1 0.93351676 0.03238791 0.37828837 1
C C7 1 0.63399919 0.51093163 0.78103183 1
C C8 1 0.43829685 0.51485874 0.38746897 1
C C9 1 0.98386250 0.43907999 0.48037520 1
C C10 1 0.46534881 0.90906104 0.44304687 1
C C11 1 0.74265699 0.56946593 1.00279114 1
| -154.434258 |
9,576 | C-193936-350-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.61408000
_cell_length_b 4.65753000
_cell_length_c 4.59309000
_cell_angle_alpha 98.92902000
_cell_angle_beta 127.03230000
_cell_angle_gamma 105.32436000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.30183351
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.07159673 0.93052031 0.23392906 1
C C1 1 0.64133879 0.14275321 0.33986091 1
C C2 1 0.38063011 0.69803241 0.80493211 1
C C3 1 1.01074444 0.69810145 0.43030756 1
C C4 1 0.18925555 0.37468325 0.76865180 1
C C5 1 0.55633334 0.37456366 0.14303356 1
| -154.075384 |
1,017 | C-136253-4158-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48712000
_cell_length_b 3.51612000
_cell_length_c 4.30406000
_cell_angle_alpha 65.90899000
_cell_angle_beta 73.20890000
_cell_angle_gamma 90.00435000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.59446446
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.50984720 0.04379228 0.45693599 1
C C1 1 0.67640470 0.96076713 0.12357297 1
C C2 1 0.84306718 0.37708279 0.79030920 1
C C3 1 1.00991085 0.29414661 0.45689918 1
C C4 1 0.17634105 0.71041280 0.12360978 1
C C5 1 0.34318472 0.62747662 0.79019976 1
| -154.543745 |
8,383 | C-47625-6113-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44250000
_cell_length_b 5.15262000
_cell_length_c 7.57712000
_cell_angle_alpha 67.83919000
_cell_angle_beta 91.16734000
_cell_angle_gamma 84.23753000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 87.69375656
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.07813072 0.97171257 0.11868612 1
C C1 1 0.98421535 0.87683050 0.78848293 1
C C2 1 0.50961749 0.64054166 0.39468934 1
C C3 1 0.73233632 0.44948384 0.76268546 1
C C4 1 0.39580957 0.05367470 0.00634178 1
C C5 1 0.97496385 0.76626099 0.28906779 1
C C6 1 0.52748326 0.32542409 0.44360808 1
C C7 1 1.05502359 0.87029243 0.59295830 1
C C8 1 0.04845414 0.18156806 0.47506763 1
C C9 1 0.27849908 0.33577232 0.84704345 1
C C10 1 0.59166871 0.70431083 0.58165175 1
C C11 1 0.46852208 0.91116241 0.86501596 1
| -154.086456 |
1,783 | C-40110-5594-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46789000
_cell_length_b 3.37879000
_cell_length_c 5.22720000
_cell_angle_alpha 90.61808000
_cell_angle_beta 89.99899000
_cell_angle_gamma 111.43923000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.56822905
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.81914655 0.78382053 0.36726145 1
C C1 1 -0.02975386 0.08337898 -0.15661317 1
C C2 1 0.40745466 0.96019130 0.24228543 1
C C3 1 0.44683726 0.03532198 -0.03217688 1
C C4 1 0.60042815 0.33932185 0.44425178 1
C C5 1 1.01164714 0.16191546 0.56901449 1
| -154.150267 |
8,400 | C-141074-4201-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90758000
_cell_length_b 3.63720000
_cell_length_c 4.81954000
_cell_angle_alpha 112.16761000
_cell_angle_beta 89.89443000
_cell_angle_gamma 109.80432000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.94291042
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.08554077 0.75486695 0.03875332 1
C C1 1 0.91149940 0.71968863 0.73127384 1
C C2 1 0.91709918 0.37533767 0.03953919 1
C C3 1 0.91362381 0.16132382 0.23057147 1
C C4 1 -0.09114055 0.09921792 0.73048797 1
C C5 1 0.91233482 0.31323176 0.53945569 1
| -154.135239 |
4,408 | C-96672-9795-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23521000
_cell_length_b 4.48700000
_cell_length_c 3.89081000
_cell_angle_alpha 55.60065000
_cell_angle_beta 84.19523000
_cell_angle_gamma 105.41253000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 55.80232447
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.67535352 0.18200196 0.50175663 1
C C1 1 0.53884578 0.92428130 0.35568018 1
C C2 1 0.83084878 0.82402099 0.29620769 1
C C3 1 0.41871940 1.00164208 -0.04023218 1
C C4 1 0.32953093 0.56246209 0.12164637 1
C C5 1 0.69450974 0.56645181 0.14990392 1
C C6 1 0.13391416 0.16611391 0.89167847 1
C C7 1 0.95110961 0.74692707 0.69196271 1
C C8 1 1.04029912 0.18609072 0.53005516 1
C C9 1 0.23585916 0.58238096 0.76012725 1
| -154.154689 |
4,717 | C-136231-9145-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26541000
_cell_length_b 3.27888000
_cell_length_c 3.63414000
_cell_angle_alpha 75.38480000
_cell_angle_beta 75.45145000
_cell_angle_gamma 80.83441000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.25244166
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.70395648 0.27695015 0.21677988 1
C C1 1 0.11861063 0.64872584 0.59830644 1
C C2 1 0.33175339 0.85988956 0.83585465 1
C C3 1 0.97017766 0.22154376 0.83556136 1
C C4 1 0.38763219 0.59408908 0.21706721 1
C C5 1 0.75828415 0.01008811 0.59796456 1
| -154.201591 |
1,764 | C-56512-1663-58 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46535000
_cell_length_b 4.89967000
_cell_length_c 7.58126000
_cell_angle_alpha 86.28718000
_cell_angle_beta 86.97483000
_cell_angle_gamma 91.35972000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 91.22365879
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.37339557 0.18876764 0.72243351 1
C C1 1 0.35448109 0.01615527 0.90637008 1
C C2 1 0.38162561 0.75349851 0.80641284 1
C C3 1 0.86690124 0.57654902 0.83490115 1
C C4 1 0.80718618 0.74705718 0.13250664 1
C C5 1 0.28990993 0.23816689 0.26818416 1
C C6 1 0.42774297 0.91555633 0.63233707 1
C C7 1 0.33706397 0.48625260 0.38435941 1
C C8 1 0.83726029 1.01864561 1.02126561 1
C C9 1 0.94661716 0.85023121 0.52954062 1
C C10 1 0.18198053 0.96884272 0.35606430 1
C C11 1 -0.19485289 0.25536943 0.14020436 1
C C12 1 0.85887339 0.52836197 0.50295784 1
C C13 1 0.81821351 0.50673499 0.02752906 1
C C14 1 0.30083256 0.73735301 0.25140601 1
C C15 1 0.87281947 0.36457342 0.69228324 1
| -154.154134 |
5,692 | C-90815-4602-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65527000
_cell_length_b 2.45680000
_cell_length_c 7.90448000
_cell_angle_alpha 98.93191000
_cell_angle_beta 129.68256000
_cell_angle_gamma 70.33605000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.26898073
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.81048436 0.49335428 0.72995835 1
C C1 1 0.04063324 0.21722372 0.40802530 1
C C2 1 -0.17798531 0.77633593 0.30647588 1
C C3 1 0.55409713 0.72102393 0.93052858 1
C C4 1 0.30904244 1.27168535 0.78399169 1
C C5 1 0.37804278 -0.12112217 0.07117139 1
C C6 1 0.05257000 0.49823485 0.98438390 1
C C7 1 0.48471856 0.11350420 0.64323882 1
| -154.255393 |
7,797 | C-113064-8679-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46576000
_cell_length_b 3.36378000
_cell_length_c 5.59435000
_cell_angle_alpha 92.42502000
_cell_angle_beta 77.26222000
_cell_angle_gamma 101.04262000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 44.42113934
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.14528122 0.46951072 0.43069088 1
C C1 1 0.20053333 0.60514464 0.85014701 1
C C2 1 0.03220781 -0.16456748 0.09027653 1
C C3 1 0.72543255 0.46944813 0.27036595 1
C C4 1 0.60626219 0.10373519 0.09029833 1
C C5 1 0.67984611 0.33381237 0.85002493 1
C C6 1 0.84600450 0.10356743 0.61031294 1
C C7 1 0.27224549 0.83544829 0.61027994 1
| -154.136673 |
955 | C-145378-5350-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48205000
_cell_length_b 3.67033000
_cell_length_c 5.57016000
_cell_angle_alpha 70.76871000
_cell_angle_beta 77.10957000
_cell_angle_gamma 90.00080000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.55556389
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.71883443 0.81043811 -0.02167134 1
C C1 1 1.06407952 0.41720474 0.28666328 1
C C2 1 0.56389796 0.65516731 0.28691492 1
C C3 1 0.83324872 0.18418062 0.75404936 1
C C4 1 -0.04469346 0.04351196 0.51065905 1
C C5 1 0.45530049 0.80501623 0.51080094 1
C C6 1 0.33323968 0.42268736 0.75406510 1
C C7 1 0.21908167 0.57252637 -0.02202101 1
| -154.247905 |
8,071 | C-96665-6528-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44433000
_cell_length_b 4.84010000
_cell_length_c 6.67969000
_cell_angle_alpha 83.43807000
_cell_angle_beta 90.03263000
_cell_angle_gamma 59.64381000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.58794303
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.02074424 0.31606385 0.26840817 1
C C1 1 0.88982891 0.94463137 0.00538123 1
C C2 1 0.53632670 0.29898664 0.95215302 1
C C3 1 0.43123786 0.40566214 0.71357006 1
C C4 1 0.72309267 0.11378940 0.58339497 1
C C5 1 0.54792692 0.78648613 1.01946242 1
C C6 1 -0.09461625 0.43006853 0.04649899 1
C C7 1 0.42064062 -0.08348399 0.61443056 1
C C8 1 0.73931590 0.59759468 0.66400644 1
C C9 1 0.57474234 0.26223624 0.36572915 1
| -154.243452 |
8,300 | C-41300-4225-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27090000
_cell_length_b 4.23694000
_cell_length_c 4.24487000
_cell_angle_alpha 59.91997000
_cell_angle_beta 49.61469000
_cell_angle_gamma 84.83311000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.23364914
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.78806960 0.33027723 0.56221698 1
C C1 1 0.12554694 0.09351300 0.37291013 1
C C2 1 0.95668729 0.71206557 0.80926892 1
C C3 1 0.95618555 0.71175928 0.12626022 1
C C4 1 -0.21177410 0.33050776 0.92304467 1
C C5 1 0.12543610 0.09332926 0.01209948 1
| -154.199237 |
8,995 | C-96705-9216-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48247000
_cell_length_b 3.84161000
_cell_length_c 3.74996000
_cell_angle_alpha 90.03349000
_cell_angle_beta 90.02784000
_cell_angle_gamma 90.06342000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.76214220
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.34865415 0.44213122 0.96331924 1
C C1 1 0.34852624 0.14779715 0.69527653 1
C C2 1 0.84832248 0.14757662 0.45964327 1
C C3 1 0.34913325 0.73688053 0.69554528 1
C C4 1 0.84896051 0.73669475 0.45988171 1
C C5 1 0.84877508 0.44192563 0.19191387 1
| -154.161007 |
6,810 | C-90817-5730-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60827000
_cell_length_b 3.48759000
_cell_length_c 3.43412000
_cell_angle_alpha 94.67820000
_cell_angle_beta 92.33189000
_cell_angle_gamma 68.70455000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.24885187
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.81225189 0.39135295 0.48176854 1
C C1 1 0.48507621 0.61333770 0.57184078 1
C C2 1 0.84066075 0.85613404 -0.02729246 1
C C3 1 0.49638836 0.94530043 0.91428292 1
C C4 1 0.00261138 0.53016437 0.71927237 1
C C5 1 0.31877069 -0.02513702 0.29137351 1
C C6 1 0.32981227 0.30693010 0.63354943 1
C C7 1 0.97535945 0.06432393 0.23050881 1
| -154.113638 |
8,879 | C-57113-4466-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48342000
_cell_length_b 4.72119000
_cell_length_c 6.27240000
_cell_angle_alpha 100.46814000
_cell_angle_beta 101.43275000
_cell_angle_gamma 105.21968000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.39725916
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.77965675 0.97924181 0.16576586 1
C C1 1 0.36483519 0.73532468 0.57622599 1
C C2 1 0.94886546 0.75513226 0.72401543 1
C C3 1 -0.06176211 0.56324539 0.89603864 1
C C4 1 0.31265600 0.11851076 0.09432324 1
C C5 1 0.98270122 1.13584564 0.41604233 1
C C6 1 1.12833686 0.46979196 0.37324278 1
C C7 1 0.17806121 0.08502214 0.85394607 1
C C8 1 0.71245475 0.22526332 0.78340233 1
C C9 1 0.50926705 0.06942092 0.53348776 1
C C10 1 0.54288940 0.44876722 0.22421870 1
C C11 1 0.55387091 0.64109270 0.05238548 1
| -154.42113 |
9,772 | C-145325-7931-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44318000
_cell_length_b 4.78391000
_cell_length_c 8.31170000
_cell_angle_alpha 61.95097000
_cell_angle_beta 72.83086000
_cell_angle_gamma 89.96861000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 80.80714090
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.23758033 -0.08013456 0.21597137 1
C C1 1 0.74085378 0.61505183 0.71007933 1
C C2 1 0.59334598 0.41032156 0.36225546 1
C C3 1 0.41083927 0.59622265 0.04202841 1
C C4 1 0.19036433 0.57792570 0.26533039 1
C C5 1 -0.11920082 -0.07254428 0.57228194 1
C C6 1 0.78292325 0.08165939 0.17093166 1
C C7 1 1.09734725 1.10491035 0.85525342 1
C C8 1 0.14433268 0.44644149 0.80640618 1
C C9 1 0.45191464 0.09975537 0.50181462 1
C C10 1 -0.07633334 0.42891600 0.02983762 1
C C11 1 0.55174896 0.94288611 0.90030260 1
| -154.172244 |
5,590 | C-92136-1818-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48790000
_cell_length_b 4.30531000
_cell_length_c 5.55987000
_cell_angle_alpha 104.98304000
_cell_angle_beta 102.93238000
_cell_angle_gamma 73.19386000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 54.35095705
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.37423774 0.54531261 0.18767981 1
C C1 1 0.77589810 0.34552675 0.78807244 1
C C2 1 0.57288497 0.69475666 0.73657742 1
C C3 1 0.57387159 0.94482906 -0.01343002 1
C C4 1 0.37526517 0.29536618 0.93796889 1
C C5 1 0.17587763 0.14515461 0.38742368 1
C C6 1 0.97354098 0.49503707 0.33745043 1
C C7 1 0.77615876 0.09513062 0.53750513 1
C C8 1 0.17497912 0.89467938 0.13666420 1
C C9 1 0.97269823 0.74493395 0.58669992 1
| -154.548396 |
5,434 | C-40095-5757-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48126000
_cell_length_b 3.68839000
_cell_length_c 4.22349000
_cell_angle_alpha 104.99972000
_cell_angle_beta 89.93869000
_cell_angle_gamma 70.30528000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98561368
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.01202412 0.52065905 0.60898830 1
C C1 1 0.40970125 0.67751744 0.47844678 1
C C2 1 0.21089539 0.07436562 0.40219021 1
C C3 1 0.53582539 0.43005834 0.10411135 1
C C4 1 0.73203578 1.03345092 0.18058650 1
C C5 1 0.95709310 0.58726683 -0.02624605 1
| -154.312226 |
4,688 | C-41270-7708-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48114000
_cell_length_b 3.68862000
_cell_length_c 4.21906000
_cell_angle_alpha 75.15026000
_cell_angle_beta 89.98352000
_cell_angle_gamma 109.64702000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99137570
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48456964 -0.01841395 0.81398701 1
C C1 1 0.70846151 0.42726237 0.60732727 1
C C2 1 0.74217220 0.49702358 0.24224240 1
C C3 1 0.96481764 0.94273100 0.03589811 1
C C4 1 0.28720846 0.58461497 0.73785012 1
C C5 1 0.16431665 0.34083223 0.11118809 1
| -154.310437 |
9,049 | C-106848-5207-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46619000
_cell_length_b 6.62944000
_cell_length_c 7.13090000
_cell_angle_alpha 57.36624000
_cell_angle_beta 79.98490000
_cell_angle_gamma 68.08924000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 91.03367712
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.56236042 0.47640156 0.16963827 1
C C1 1 0.45640544 0.70054176 -0.06471254 1
C C2 1 1.00347487 0.47163335 0.29835197 1
C C3 1 0.20881164 0.94266066 0.94575086 1
C C4 1 0.67902995 0.68458901 0.52899367 1
C C5 1 0.08964605 0.17670602 0.71955759 1
C C6 1 0.03909048 0.79962841 0.57572124 1
C C7 1 0.85337360 0.40739943 0.73295710 1
C C8 1 0.17957843 0.19401734 0.50256909 1
C C9 1 0.80915906 0.21168534 0.20261961 1
C C10 1 1.29170564 0.40319228 0.86172016 1
C C11 1 0.76845959 0.70201685 0.31199273 1
C C12 1 0.39490239 0.17940080 0.09613042 1
C C13 1 0.04262261 0.66824674 0.82865502 1
C C14 1 0.64284135 -0.06296431 0.08613867 1
C C15 1 0.81699287 0.07953296 0.45542473 1
| -154.313362 |
6,877 | C-76026-3583-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26792000
_cell_length_b 4.20598000
_cell_length_c 3.69834000
_cell_angle_alpha 68.44680000
_cell_angle_beta 75.86497000
_cell_angle_gamma 60.62729000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 53.64032477
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.92416237 -0.01897117 0.48712679 1
C C1 1 0.92253064 0.64986385 0.54715448 1
C C2 1 0.26215186 1.00973088 0.45014229 1
C C3 1 0.58724969 0.34911095 0.40305790 1
C C4 1 0.25875897 0.28087711 0.63574140 1
C C5 1 0.34068655 0.20948556 1.03367539 1
C C6 1 0.58416365 0.62047605 0.58775979 1
C C7 1 0.50534547 0.42126007 1.00449996 1
| -154.086041 |
9,262 | C-107752-5318-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43111000
_cell_length_b 5.49247000
_cell_length_c 4.93329000
_cell_angle_alpha 65.88855000
_cell_angle_beta 75.50474000
_cell_angle_gamma 77.25591000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.68767277
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.86176870 0.25379333 0.78245412 1
C C1 1 0.52889557 0.58642694 1.11636545 1
C C2 1 0.27879986 0.33758568 0.86509957 1
C C3 1 0.77887992 0.83764748 0.36517668 1
C C4 1 1.02882625 1.08873751 0.61400327 1
C C5 1 0.36179177 0.75396088 0.28258099 1
C C6 1 0.61175098 1.00506484 0.53128735 1
C C7 1 0.11180295 0.50286705 0.03359546 1
| -154.453463 |
9,624 | C-177230-2077-57 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32189000
_cell_length_b 3.78584000
_cell_length_c 3.91799000
_cell_angle_alpha 88.01115000
_cell_angle_beta 74.20792000
_cell_angle_gamma 95.91881000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.05913696
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.47672435 0.10449121 0.68159948 1
C C1 1 0.28046923 0.41368267 0.82662596 1
C C2 1 0.90671677 0.23650623 0.44231527 1
C C3 1 0.65472731 0.59490600 -0.06493341 1
C C4 1 0.22685005 -0.05127825 0.42496326 1
C C5 1 1.03916697 0.58372267 0.60288565 1
C C6 1 0.85437609 0.29092723 0.09069428 1
C C7 1 0.55756842 0.95794374 0.04114480 1
| -154.083648 |
3,863 | C-106842-844-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44427000
_cell_length_b 4.20440000
_cell_length_c 6.49405000
_cell_angle_alpha 66.82295000
_cell_angle_beta 79.19814000
_cell_angle_gamma 89.88494000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 60.07354222
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.15508184 0.86221119 0.26608752 1
C C1 1 0.93473386 0.88120171 0.71159556 1
C C2 1 0.83671787 -0.05391738 0.91028374 1
C C3 1 0.48626125 0.86786735 0.60757312 1
C C4 1 0.13329472 0.49364338 0.30496040 1
C C5 1 0.28395345 -0.04203891 1.01493659 1
C C6 1 0.61042354 0.96081295 0.35679554 1
C C7 1 0.62767707 0.33000580 0.31628364 1
| -154.186319 |
6,692 | C-176679-1286-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43813000
_cell_length_b 2.54965000
_cell_length_c 6.48613000
_cell_angle_alpha 79.20829000
_cell_angle_beta 90.74334000
_cell_angle_gamma 90.09284000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.60380066
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.06819312 0.44127741 0.69481713 1
C C1 1 0.08631125 0.21822337 0.13206556 1
C C2 1 0.58239066 1.27320258 0.02378716 1
C C3 1 0.08222849 0.10507614 0.36139612 1
C C4 1 0.57210836 0.38548323 0.80228336 1
C C5 1 0.07085672 0.55563747 0.46490767 1
| -154.071405 |
8,276 | C-57148-8436-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43051000
_cell_length_b 4.16180000
_cell_length_c 9.24998000
_cell_angle_alpha 109.42752000
_cell_angle_beta 99.29423000
_cell_angle_gamma 94.26161000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 86.25261019
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.01125051 0.22654835 0.84831322 1
C C1 1 1.01110445 0.72710822 0.34757114 1
C C2 1 0.34454745 0.22660841 0.18164120 1
C C3 1 0.45567142 0.05890261 0.79236837 1
C C4 1 0.67792850 0.22692252 0.51479365 1
C C5 1 0.34445048 0.72703309 0.68085070 1
C C6 1 -0.21038142 0.55902467 0.62617955 1
C C7 1 0.12239198 0.05924062 0.45896307 1
C C8 1 1.12300252 0.55873574 0.95976888 1
C C9 1 0.78908071 0.05894685 0.12582820 1
C C10 1 0.67787421 0.72696538 1.01442417 1
C C11 1 0.45634550 0.55881474 0.29295304 1
| -154.44825 |
5,688 | C-136229-8372-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.76414000
_cell_length_b 5.20625000
_cell_length_c 3.63645000
_cell_angle_alpha 113.71468000
_cell_angle_beta 84.44126000
_cell_angle_gamma 113.61085000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.77283144
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.96328605 0.93648799 0.99654273 1
C C1 1 0.15473775 0.12787466 0.78387173 1
C C2 1 0.15587997 0.12810331 0.40256974 1
C C3 1 0.65090567 0.62720832 0.84432140 1
C C4 1 0.45872207 0.43565770 0.43836439 1
C C5 1 0.45949479 0.43603532 0.05739201 1
| -154.109807 |
4,465 | C-145325-7931-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48394000
_cell_length_b 4.08826000
_cell_length_c 4.67268000
_cell_angle_alpha 96.70748000
_cell_angle_beta 105.41511000
_cell_angle_gamma 90.00094000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.40697939
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.82994316 -0.12142606 0.17846272 1
C C1 1 0.17603809 0.47276118 0.86573099 1
C C2 1 0.44641788 0.41117503 0.40690120 1
C C3 1 0.60437226 0.59073018 0.72185241 1
C C4 1 -0.05275295 0.18462664 0.40906285 1
C C5 1 0.65937036 0.94654485 0.83702017 1
C C6 1 1.11723199 0.11721852 0.75105621 1
C C7 1 0.33133911 0.65356357 0.18061846 1
| -154.362085 |
6,843 | C-57148-8436-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52262000
_cell_length_b 4.45322000
_cell_length_c 4.81084000
_cell_angle_alpha 105.73918000
_cell_angle_beta 116.83590000
_cell_angle_gamma 82.47727000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.41324057
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.47792434 0.13699700 0.97247713 1
C C1 1 1.07254923 0.62969635 0.86909019 1
C C2 1 0.48217056 0.47675157 0.15045094 1
C C3 1 1.07895843 -0.03031549 0.04917983 1
C C4 1 0.33302429 0.16781656 0.63916682 1
C C5 1 0.14388497 0.59717607 0.35088521 1
C C6 1 0.41159449 0.50895424 0.66916706 1
C C7 1 0.22456330 -0.06227349 0.38224452 1
| -154.096836 |
839 | C-28230-7089-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48931000
_cell_length_b 3.59171000
_cell_length_c 5.60189000
_cell_angle_alpha 103.36946000
_cell_angle_beta 131.82275000
_cell_angle_gamma 69.69858000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00593405
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.55676772 0.71565001 0.13475518 1
C C1 1 0.61418997 0.34633266 0.71638042 1
C C2 1 0.24438318 1.08621957 0.71660793 1
C C3 1 0.05085539 0.34614333 0.34067844 1
C C4 1 0.73799094 0.71565705 0.92230588 1
C C5 1 0.68093920 0.08603327 0.34076615 1
| -154.200985 |
986 | C-40134-7379-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27128000
_cell_length_b 4.23422000
_cell_length_c 3.27462000
_cell_angle_alpha 95.26707000
_cell_angle_beta 99.16539000
_cell_angle_gamma 123.89747000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.25371406
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.32981185 0.70916036 0.31342964 1
C C1 1 1.08250424 0.09057279 0.89829109 1
C C2 1 0.51867462 0.47201900 0.16444572 1
C C3 1 0.87987300 0.47232503 0.52633153 1
C C4 1 -0.03152717 0.70910552 -0.04718732 1
C C5 1 -0.23388433 0.09068761 0.58132134 1
| -154.20304 |
9,417 | C-184054-4402-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29135000
_cell_length_b 4.84177000
_cell_length_c 5.06287000
_cell_angle_alpha 64.00263000
_cell_angle_beta 89.14162000
_cell_angle_gamma 93.66116000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.28675655
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.26741003 0.79856181 0.01825430 1
C C1 1 0.26858741 0.31721424 0.01842100 1
C C2 1 0.02413377 0.58384503 0.26084793 1
C C3 1 0.77793963 0.07380518 0.50255282 1
C C4 1 0.66265082 0.76030350 0.61238551 1
C C5 1 0.41119494 0.63183820 0.86883593 1
C C6 1 0.77662862 0.55544333 0.50206409 1
C C7 1 0.37831569 0.11277812 0.90681112 1
C C8 1 0.63004907 0.24122565 0.65021324 1
C C9 1 1.02451112 0.28774144 0.26151927 1
| -154.254716 |
8,334 | C-47625-6113-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98043000
_cell_length_b 4.80380000
_cell_length_c 4.44722000
_cell_angle_alpha 83.73573000
_cell_angle_beta 113.54312000
_cell_angle_gamma 107.26679000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.73854079
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.07909942 0.07194795 0.63238208 1
C C1 1 0.56887635 0.81113580 0.11949311 1
C C2 1 0.47131823 0.58711301 0.61994368 1
C C3 1 0.45536466 0.07128354 0.95736332 1
C C4 1 0.71077860 0.32732250 0.13281465 1
C C5 1 0.09157146 0.32679394 0.45721797 1
C C6 1 0.60086948 0.58895121 -0.03023822 1
C C7 1 0.69986420 0.81272716 0.46931271 1
| -154.117876 |
5,883 | C-47616-513-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.41631000
_cell_length_b 5.93559000
_cell_length_c 6.67920000
_cell_angle_alpha 118.25700000
_cell_angle_beta 104.45253000
_cell_angle_gamma 81.19469000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 81.64032807
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.98946098 0.12288968 0.20435099 1
C C1 1 0.61405670 1.02231875 0.66561044 1
C C2 1 0.69589392 0.49635016 0.07327425 1
C C3 1 0.36993780 0.55889774 0.66362526 1
C C4 1 0.52624994 0.00131390 0.20554213 1
C C5 1 0.16978628 0.60917520 0.46193061 1
C C6 1 0.60327111 -0.22667583 0.23704403 1
C C7 1 0.61075053 0.77147271 0.46250151 1
C C8 1 0.12598692 1.14103267 0.75318789 1
C C9 1 0.11826986 0.41826735 0.91771016 1
C C10 1 0.95050442 0.38243047 0.23577868 1
C C11 1 0.94575414 0.52814972 0.75124164 1
| -154.066783 |
5,819 | C-193934-9379-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.61052000
_cell_length_b 3.67818000
_cell_length_c 4.65406000
_cell_angle_alpha 66.67585000
_cell_angle_beta 74.38885000
_cell_angle_gamma 89.85819000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.24776223
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.59157863 0.88950961 0.79228068 1
C C1 1 0.59255506 0.51470400 0.79247957 1
C C2 1 0.47742119 0.08546711 0.02474389 1
C C3 1 -0.12239781 -0.02092573 0.23695662 1
C C4 1 0.76100533 0.55043507 0.46993271 1
C C5 1 0.76050890 0.17610005 0.46940691 1
| -154.092108 |
1,467 | C-134171-9685-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42523000
_cell_length_b 3.50168000
_cell_length_c 4.63234000
_cell_angle_alpha 67.91422000
_cell_angle_beta 89.78589000
_cell_angle_gamma 85.20963000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.28077303
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.13369230 0.04914015 0.24842952 1
C C1 1 0.21883278 0.15211454 0.92144656 1
C C2 1 0.79136946 0.39349127 0.23695584 1
C C3 1 0.41723356 0.24819706 0.41518102 1
C C4 1 -0.01453168 0.48663118 0.73095688 1
C C5 1 1.07495533 0.59147423 0.40398702 1
C C6 1 0.73114221 0.64721412 0.89385919 1
C C7 1 0.47593565 0.99283115 0.75943357 1
| -154.120539 |
9,509 | C-13933-5578-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44305000
_cell_length_b 4.17069000
_cell_length_c 7.09839000
_cell_angle_alpha 83.67331000
_cell_angle_beta 69.92014000
_cell_angle_gamma 90.01537000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.46057074
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.52744224 1.02800864 0.73484100 1
C C1 1 0.73916400 0.17671402 0.51858451 1
C C2 1 0.68473462 0.50256705 1.08123017 1
C C3 1 0.87142130 0.88149900 0.38676308 1
C C4 1 0.32023838 0.69123798 0.43696014 1
C C5 1 0.16688518 0.34381277 1.09817248 1
C C6 1 0.70947495 0.85955416 0.05353883 1
C C7 1 0.11321283 -0.01022098 0.14986045 1
C C8 1 0.27045143 0.37336545 0.48762277 1
C C9 1 0.93132127 -0.02795160 0.83180877 1
| -154.243365 |
1,478 | C-152579-4602-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51751000
_cell_length_b 4.75472000
_cell_length_c 5.41333000
_cell_angle_alpha 90.99027000
_cell_angle_beta 103.20251000
_cell_angle_gamma 105.33012000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.63202306
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.53515824 0.64849526 0.37463358 1
C C1 1 0.73413335 0.77550515 0.64383353 1
C C2 1 0.80672209 0.67862219 0.88129566 1
C C3 1 0.82559173 0.18462354 0.41815422 1
C C4 1 -0.10266059 0.08683881 0.65530357 1
C C5 1 0.90759343 0.46622144 0.30010775 1
C C6 1 1.02832644 -0.06338338 0.06734688 1
C C7 1 0.60407581 0.92670697 0.23191926 1
C C8 1 0.72394672 0.39693526 -0.00060580 1
C C9 1 1.09636957 0.21447324 0.92472145 1
| -154.185165 |
8,184 | C-53832-8784-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37449000
_cell_length_b 5.25762000
_cell_length_c 4.81557000
_cell_angle_alpha 96.24108000
_cell_angle_beta 106.46268000
_cell_angle_gamma 96.01055000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 80.62152546
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.81298059 0.54442252 0.91603640 1
C C1 1 0.62409655 0.14743886 0.12092193 1
C C2 1 0.91921246 0.82805765 0.38740703 1
C C3 1 0.46481340 0.57542467 0.61509040 1
C C4 1 0.22105153 0.94577824 0.96663450 1
C C5 1 0.10657199 0.35553627 0.88213311 1
C C6 1 0.80781331 0.09837543 0.41728523 1
C C7 1 0.26997591 0.83128106 0.66282137 1
C C8 1 0.21516955 0.28888139 0.60286998 1
C C9 1 0.52820822 0.62968186 0.32344100 1
C C10 1 0.88305085 0.11668661 -0.08259491 1
C C11 1 1.12138960 0.75220539 0.14861323 1
C C12 1 0.53074438 0.42079469 0.08791685 1
C C13 1 0.54209756 0.08071477 0.63182519 1
| -154.168239 |
2,537 | C-150735-7115-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81320000
_cell_length_b 5.79228000
_cell_length_c 6.26359000
_cell_angle_alpha 91.66822000
_cell_angle_beta 65.30800000
_cell_angle_gamma 65.16634000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 139.48635477
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.45401664 0.92266893 0.48070533 1
C C1 1 0.15700675 0.57092003 0.23224164 1
C C2 1 0.90742330 0.24163444 0.06469684 1
C C3 1 0.92283343 0.89233063 0.79127183 1
C C4 1 0.84329519 0.51902107 0.60186591 1
C C5 1 0.38246595 0.26977747 1.09705322 1
C C6 1 0.14918958 0.87223228 0.53293450 1
C C7 1 0.70257827 0.68278775 0.07321139 1
C C8 1 0.03141201 0.70396743 0.92786479 1
C C9 1 0.79508480 0.61328064 0.38690548 1
C C10 1 0.85818863 0.06401004 0.24866160 1
C C11 1 0.30933747 0.59285966 0.38887462 1
C C12 1 1.13853670 0.77753730 0.09535402 1
C C13 1 0.51991940 1.01075388 0.67137592 1
C C14 1 0.74117860 0.19464410 0.91345394 1
C C15 1 0.25379681 0.22769314 0.90953013 1
C C16 1 0.68428545 0.51236665 0.23503056 1
C C17 1 0.46812695 0.14030620 0.33586152 1
C C18 1 0.68916312 0.33531040 0.69466765 1
C C19 1 0.29029030 0.43520498 0.76667099 1
C C20 1 0.23570198 0.40571883 0.53637524 1
C C21 1 0.67848070 0.79946131 0.76191620 1
C C22 1 0.84014204 0.08157603 0.50623623 1
C C23 1 0.47352153 0.77649813 -0.00450716 1
| -154.068467 |
9,433 | C-53801-6753-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51451000
_cell_length_b 6.13314000
_cell_length_c 5.58211000
_cell_angle_alpha 121.85425000
_cell_angle_beta 55.04898000
_cell_angle_gamma 116.94409000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.51077333
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.18290586 0.23607693 0.51222785 1
C C1 1 0.21185529 0.45839968 0.21785258 1
C C2 1 0.86508082 0.63062788 0.25980335 1
C C3 1 0.76148099 0.10221647 0.75620566 1
C C4 1 0.39018093 0.79032259 0.07313769 1
C C5 1 0.83461766 0.69052266 0.73528660 1
C C6 1 0.59758897 0.79677422 0.61892301 1
C C7 1 0.51827390 1.04806959 0.18794554 1
C C8 1 0.09820645 0.18605567 0.97034800 1
C C9 1 0.82203522 0.40429670 0.52655541 1
| -154.129719 |
1,869 | C-113054-2060-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47668000
_cell_length_b 4.89119000
_cell_length_c 6.68405000
_cell_angle_alpha 64.45066000
_cell_angle_beta 81.81274000
_cell_angle_gamma 68.46887000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.94240892
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.44449051 0.91906017 0.57686520 1
C C1 1 0.43197159 0.42715045 0.57719195 1
C C2 1 0.76199796 0.54608817 0.66566174 1
C C3 1 0.10004330 0.43135299 0.24659276 1
C C4 1 0.70795997 0.41257135 0.92245298 1
C C5 1 0.48098954 0.56082458 0.32031453 1
C C6 1 0.34129528 0.92532673 0.20189239 1
C C7 1 0.74623340 0.05474768 0.66620676 1
C C8 1 0.88265912 0.89517488 0.89628486 1
C C9 1 0.30307707 0.07874467 0.34681702 1
C C10 1 0.84851462 1.04795558 0.04149239 1
C C11 1 0.08940034 0.54264906 0.99522573 1
| -154.119548 |
3,843 | C-193915-3332-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42495000
_cell_length_b 4.21402000
_cell_length_c 4.21630000
_cell_angle_alpha 89.95171000
_cell_angle_beta 89.96424000
_cell_angle_gamma 89.91745000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.08540662
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.86230735 0.11322078 0.33442566 1
C C1 1 0.36228868 0.67767347 0.89693746 1
C C2 1 0.86211401 0.70452470 0.74084049 1
C C3 1 0.36217353 0.26926307 0.30688698 1
C C4 1 -0.13792833 0.76546660 0.39347229 1
C C5 1 0.36232595 0.61692938 0.24477802 1
| -154.30769 |
4,755 | C-41296-52-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63341000
_cell_length_b 3.27397000
_cell_length_c 3.27037000
_cell_angle_alpha 80.80649000
_cell_angle_beta 104.52547000
_cell_angle_gamma 104.54793000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.25739680
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.23520070 0.56629006 0.93244715 1
C C1 1 0.47170690 0.71485747 0.35835246 1
C C2 1 0.47151185 0.35300770 0.71997442 1
C C3 1 0.23532308 0.92685309 0.57196451 1
C C4 1 0.85364182 0.98045487 0.30295428 1
C C5 1 0.85341556 0.29771540 0.98606598 1
| -154.204205 |
9,212 | C-157711-6174-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49034000
_cell_length_b 4.00229000
_cell_length_c 6.74306000
_cell_angle_alpha 95.82840000
_cell_angle_beta 68.33000000
_cell_angle_gamma 89.99651000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.08443580
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.49605062 0.72714315 0.32268320 1
C C1 1 0.97708360 -0.04138327 0.83898886 1
C C2 1 0.29679689 0.47999861 0.02140080 1
C C3 1 0.47497848 0.16580429 0.84120181 1
C C4 1 0.86555873 0.64912568 -0.04729807 1
C C5 1 0.43820741 0.05191290 0.38147017 1
C C6 1 0.66549147 0.41344636 0.65331849 1
C C7 1 0.04432028 0.53162292 0.27437270 1
C C8 1 0.89897114 0.24536794 0.41994960 1
C C9 1 0.10589697 0.61074062 0.71316105 1
| -154.116953 |
7,110 | C-9628-9669-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45637000
_cell_length_b 3.65687000
_cell_length_c 6.32671000
_cell_angle_alpha 75.83531000
_cell_angle_beta 89.96999000
_cell_angle_gamma 109.62097000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 51.68985035
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.95881795 0.89131499 0.61095799 1
C C1 1 0.23276991 0.44319080 0.93197995 1
C C2 1 0.61281104 0.20199588 0.27129339 1
C C3 1 0.01126215 -0.00339958 -0.01481780 1
C C4 1 0.45803663 -0.10890546 0.13125254 1
C C5 1 0.51407100 1.00064832 0.50737235 1
C C6 1 0.23285641 0.44422949 0.18426668 1
C C7 1 0.85533932 0.68610915 0.84605060 1
| -154.271149 |
2,853 | C-172930-9950-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48199000
_cell_length_b 3.68806000
_cell_length_c 4.89782000
_cell_angle_alpha 66.86078000
_cell_angle_beta 59.50351000
_cell_angle_gamma 70.34330000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98860709
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.11071333 0.91946894 0.20325906 1
C C1 1 0.09446045 0.36515113 0.99670155 1
C C2 1 0.38475460 0.52255355 0.12728751 1
C C3 1 0.42503794 0.43310380 0.63206938 1
C C4 1 0.13353132 0.27685342 0.50116569 1
C C5 1 0.40819586 0.87906186 0.42567190 1
| -154.311152 |
3,466 | C-80186-3462-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71420000
_cell_length_b 5.35086000
_cell_length_c 4.20441000
_cell_angle_alpha 66.84592000
_cell_angle_beta 89.98344000
_cell_angle_gamma 69.81104000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.21484252
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48438053 0.38962805 0.09221198 1
C C1 1 -0.16716424 0.69773771 0.30492327 1
C C2 1 0.02685427 0.89506020 0.70519179 1
C C3 1 0.46177917 0.69044072 0.80990399 1
C C4 1 0.83232848 0.69794165 0.93783119 1
C C5 1 1.10617728 0.39750186 0.95626320 1
C C6 1 0.87518421 0.19346105 0.69101301 1
C C7 1 0.46212575 0.69043943 0.44033392 1
C C8 1 0.10670684 0.39734150 0.58712671 1
C C9 1 0.02699005 -0.10500412 0.34034089 1
C C10 1 0.87472976 0.19346829 0.05604591 1
C C11 1 0.48476721 0.38965227 0.45890524 1
| -154.213127 |
8,412 | C-177244-4718-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48563000
_cell_length_b 6.26687000
_cell_length_c 6.30632000
_cell_angle_alpha 99.05427000
_cell_angle_beta 101.33744000
_cell_angle_gamma 90.07011000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 95.06477733
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.90136739 0.59746251 0.84761766 1
C C1 1 0.13538996 0.63408706 0.31600133 1
C C2 1 -0.38471298 0.96631636 0.26888298 1
C C3 1 0.57214817 0.55140593 0.18968985 1
C C4 1 0.82508806 0.77818769 0.69190211 1
C C5 1 0.15666928 -0.12326334 0.35422173 1
C C6 1 0.46879080 0.65562423 -0.01762404 1
C C7 1 0.96487015 0.23409957 0.96799403 1
C C8 1 1.19917109 0.26884179 0.43488394 1
C C9 1 0.25599475 0.76925582 0.55317293 1
C C10 1 0.30431710 0.30629295 0.64768478 1
C C11 1 0.86602951 0.35309298 0.77040821 1
C C12 1 0.63775395 0.21171426 0.31349286 1
C C13 1 0.49264397 0.89858614 0.02420061 1
C C14 1 0.93913904 -0.02649851 0.91452609 1
C C15 1 0.53440327 0.30629665 0.10656042 1
| -154.249801 |
7,834 | C-90858-8157-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10119000
_cell_length_b 4.64235000
_cell_length_c 6.41736000
_cell_angle_alpha 91.53809000
_cell_angle_beta 104.76386000
_cell_angle_gamma 105.27708000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 85.74364243
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.89950661 0.60292028 0.79325495 1
C C1 1 0.23388095 0.93586850 0.12684824 1
C C2 1 0.06519065 0.76952146 0.45922895 1
C C3 1 0.12099155 0.82446050 0.68157874 1
C C4 1 0.95842691 0.65701245 1.01597681 1
C C5 1 0.45577312 0.15723923 0.01548808 1
C C6 1 0.56555470 0.26960116 0.45959202 1
C C7 1 0.39796041 0.10302102 0.79300132 1
C C8 1 0.73294692 0.43579184 0.12657387 1
C C9 1 0.78940969 0.49068060 0.34892709 1
C C10 1 0.62352875 0.32416388 0.68208521 1
C C11 1 0.29224922 0.99048108 0.34937091 1
| -154.444825 |
7,843 | C-148219-4273-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42643000
_cell_length_b 4.81836000
_cell_length_c 6.25980000
_cell_angle_alpha 70.89308000
_cell_angle_beta 78.71894000
_cell_angle_gamma 59.70808000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 59.67044650
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.07379925 0.27970360 1.02545035 1
C C1 1 0.57107984 0.61131026 0.06991494 1
C C2 1 0.64657355 0.76075864 0.61465540 1
C C3 1 -0.14023026 0.65121182 0.41407138 1
C C4 1 0.45109848 0.61023103 0.31299035 1
C C5 1 0.58406979 0.13494985 0.99892440 1
C C6 1 1.05529201 0.80193801 0.71546058 1
C C7 1 0.93701494 0.80187649 -0.04239690 1
| -154.262978 |
4,624 | C-113048-91-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40586000
_cell_length_b 3.35062000
_cell_length_c 4.58255000
_cell_angle_alpha 111.48113000
_cell_angle_beta 90.83191000
_cell_angle_gamma 87.91228000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.63004583
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.26474926 0.19602296 0.48988160 1
C C1 1 0.75368317 0.23029098 0.88590823 1
C C2 1 0.41982638 0.96727972 0.69526605 1
C C3 1 0.91990363 0.45568183 0.67163835 1
C C4 1 0.57493947 0.53265443 0.49002455 1
C C5 1 0.08684716 0.89556415 0.88580586 1
C C6 1 0.27711341 0.85425611 0.17062296 1
C C7 1 0.56554571 0.55600500 0.17103239 1
| -154.200765 |
4,931 | C-145300-1207-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45843000
_cell_length_b 6.62826000
_cell_length_c 4.45256000
_cell_angle_alpha 76.55534000
_cell_angle_beta 77.97355000
_cell_angle_gamma 92.65918000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.67388061
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.79109725 0.15772075 1.02972632 1
C C1 1 0.03413961 0.84814770 0.31474649 1
C C2 1 0.94779126 0.81484933 0.99644124 1
C C3 1 0.01681882 0.64555605 0.54985304 1
C C4 1 0.48838247 0.08866062 0.60063789 1
C C5 1 0.09955137 0.44983758 0.42966366 1
C C6 1 0.57578251 0.99276201 0.33056538 1
C C7 1 0.89342486 0.61668049 -0.09123335 1
C C8 1 0.52058499 0.32680953 0.57475492 1
C C9 1 0.34593354 0.29236897 0.94697719 1
C C10 1 0.30319445 0.48800319 1.06100966 1
C C11 1 0.91040796 0.02153037 0.79911535 1
| -154.097114 |
8,143 | C-13931-57-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43177000
_cell_length_b 3.95662000
_cell_length_c 4.68535000
_cell_angle_alpha 95.69942000
_cell_angle_beta 74.43893000
_cell_angle_gamma 89.67455000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.18883721
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.19512670 0.61573398 0.13749012 1
C C1 1 1.08367178 0.39264729 0.35884591 1
C C2 1 -0.13833210 0.94912127 0.80433281 1
C C3 1 0.52930276 0.28039513 0.46959058 1
C C4 1 0.41588973 0.06199336 0.69380391 1
C C5 1 0.74953822 0.72762816 1.02656427 1
| -154.462176 |
7,049 | C-76058-7769-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48447000
_cell_length_b 3.82382000
_cell_length_c 5.98081000
_cell_angle_alpha 111.73006000
_cell_angle_beta 101.96350000
_cell_angle_gamma 108.94577000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.32417763
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.91975880 0.93535688 0.10170304 1
C C1 1 0.53729169 1.00613181 0.26661422 1
C C2 1 0.06338186 0.28132447 0.04408757 1
C C3 1 0.44689844 0.21115021 0.87938964 1
C C4 1 0.87434869 0.51844346 0.42940791 1
C C5 1 0.10981663 0.69865449 0.71624833 1
C C6 1 0.37881886 0.63440190 0.32300018 1
C C7 1 0.60464782 0.58229969 0.82242680 1
| -154.222354 |
3,519 | C-90841-9811-62 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25253000
_cell_length_b 3.77416000
_cell_length_c 6.39816000
_cell_angle_alpha 77.62380000
_cell_angle_beta 74.65228000
_cell_angle_gamma 48.92720000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 74.53814877
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.85368027 0.85395775 0.43833012 1
C C1 1 0.17589147 0.57582226 0.05021648 1
C C2 1 0.26501581 0.54683340 0.26263479 1
C C3 1 0.46292936 0.03220005 0.36144926 1
C C4 1 0.14632021 0.10732778 0.55067740 1
C C5 1 0.34413908 -0.40689451 0.64978889 1
C C6 1 0.86059301 0.55870327 0.05177267 1
C C7 1 0.59049440 0.60969336 0.26466329 1
C C8 1 0.75490819 0.28576166 0.47496905 1
C C9 1 0.01909829 0.52958568 0.64767042 1
C C10 1 0.74907037 0.57995009 0.86035464 1
C C11 1 0.43332034 0.56357451 0.86193979 1
| -154.204012 |
682 | C-134199-8894-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.38692000
_cell_length_b 4.24490000
_cell_length_c 4.42854000
_cell_angle_alpha 96.70850000
_cell_angle_beta 72.09153000
_cell_angle_gamma 105.42020000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.36124469
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.41292916 0.71405466 -0.11541907 1
C C1 1 1.09652293 0.70935775 0.19566871 1
C C2 1 0.41402759 0.26249987 0.43349649 1
C C3 1 0.09806962 -0.05019369 0.43817014 1
C C4 1 0.91077649 0.23420209 0.91086563 1
C C5 1 -0.21841041 0.94338443 0.75015720 1
C C6 1 0.78050197 0.39634102 0.20102025 1
C C7 1 0.28360035 0.42256347 0.72445864 1
| -154.211203 |
4,452 | C-34615-6034-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49062000
_cell_length_b 5.91761000
_cell_length_c 8.10345000
_cell_angle_alpha 123.55903000
_cell_angle_beta 100.15670000
_cell_angle_gamma 98.13510000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 93.71542471
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.18830170 0.26194928 0.41305086 1
C C1 1 0.73923919 0.76583590 0.21335201 1
C C2 1 0.83939253 0.16042025 0.89261055 1
C C3 1 0.02957446 0.67747938 0.74414127 1
C C4 1 0.06639180 0.30439554 0.11645901 1
C C5 1 0.46842711 0.79537193 0.54488510 1
C C6 1 1.14726034 0.80066587 0.10709772 1
C C7 1 0.03403696 1.03910465 0.44251958 1
C C8 1 0.81133505 0.44081419 0.50529605 1
C C9 1 1.00818736 0.57987204 0.87766083 1
C C10 1 0.67629310 0.50012219 0.21459307 1
C C11 1 0.84543546 0.62722697 0.43965093 1
C C12 1 0.82821881 0.29182025 0.79249492 1
C C13 1 0.60639792 0.84924108 0.75635700 1
C C14 1 1.10151823 0.10897281 0.18439998 1
C C15 1 0.60226589 1.05837017 0.56013462 1
| -154.090938 |
6,487 | C-80182-7828-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45760000
_cell_length_b 4.44880000
_cell_length_c 7.14606000
_cell_angle_alpha 105.90578000
_cell_angle_beta 110.18376000
_cell_angle_gamma 105.95006000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 64.35044474
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.72367022 0.69115971 0.08665420 1
C C1 1 0.39926718 0.81833508 0.19886154 1
C C2 1 0.71985457 0.03699409 0.40976024 1
C C3 1 0.37649989 1.09004927 0.53944426 1
C C4 1 0.40588366 0.47676353 0.87470312 1
C C5 1 0.32035755 0.81361471 0.62242224 1
C C6 1 0.75073625 0.42547322 0.74520181 1
C C7 1 0.80497869 0.70181430 0.66246659 1
| -154.130189 |
832 | C-176646-2657-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48823000
_cell_length_b 2.48785000
_cell_length_c 6.57754000
_cell_angle_alpha 67.77212000
_cell_angle_beta 100.92249000
_cell_angle_gamma 120.01940000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.63532034
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.30368932 0.30132405 0.57510702 1
C C1 1 0.63702305 0.55150229 -0.00833489 1
C C2 1 0.97035599 0.30132405 0.90844035 1
C C3 1 0.63702265 0.30132405 0.24177369 1
C C4 1 0.30368971 0.55150229 0.32499845 1
C C5 1 -0.02964362 0.55150229 0.65833178 1
| -154.544968 |
3,870 | C-170888-2365-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48762000
_cell_length_b 4.76022000
_cell_length_c 4.69576000
_cell_angle_alpha 103.53894000
_cell_angle_beta 89.93343000
_cell_angle_gamma 58.52165000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.59102703
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.42344683 0.13415655 0.64295821 1
C C1 1 0.41594627 0.14197017 0.29558363 1
C C2 1 0.35104332 0.70743905 0.87286013 1
C C3 1 0.08185776 0.47480703 0.22574449 1
C C4 1 0.38039723 0.67584296 0.34035117 1
C C5 1 1.07536497 0.48238091 -0.12178095 1
C C6 1 0.14795451 0.90872655 0.64777065 1
C C7 1 0.11742331 -0.05943472 0.18103847 1
| -154.363109 |
1,144 | C-28213-8691-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45517000
_cell_length_b 5.67062000
_cell_length_c 7.96668000
_cell_angle_alpha 58.43598000
_cell_angle_beta 89.99959000
_cell_angle_gamma 89.98545000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 94.50559315
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.20940591 0.57925212 1.05812466 1
C C1 1 0.71000219 0.51426618 0.46190166 1
C C2 1 0.70941273 0.48190682 0.03186818 1
C C3 1 0.20974997 0.12384367 -0.02914422 1
C C4 1 0.70963608 0.21656352 1.03158449 1
C C5 1 0.71021294 0.92746833 0.63336667 1
C C6 1 0.21018647 0.93309061 0.54174529 1
C C7 1 0.20993970 1.01545200 0.35125845 1
C C8 1 0.70982116 1.01129353 0.25589648 1
C C9 1 0.20996788 0.42768182 0.56144880 1
C C10 1 0.70971724 0.74100980 0.25177991 1
C C11 1 0.71025924 0.03051346 0.74962836 1
C C12 1 0.21009135 0.15888482 0.76830138 1
C C13 1 0.20966123 0.77954241 0.12908530 1
| -154.15121 |
6,088 | C-13671-2117-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11456000
_cell_length_b 3.39841000
_cell_length_c 3.39830000
_cell_angle_alpha 93.87813000
_cell_angle_beta 78.51591000
_cell_angle_gamma 78.53365000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.35233330
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.55975612 0.77514356 0.31968293 1
C C1 1 0.55906233 0.29506508 0.80156279 1
C C2 1 0.11100875 0.32305934 0.35028913 1
C C3 1 0.76955216 0.91189823 0.93678086 1
C C4 1 0.11452387 -0.03330426 0.99248377 1
C C5 1 -0.22744848 0.55488297 0.58082691 1
C C6 1 0.32378699 0.58417257 0.13003387 1
C C7 1 0.32441906 0.10279562 0.61013924 1
| -154.329185 |
1,210 | C-13929-1342-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47504000
_cell_length_b 4.24720000
_cell_length_c 3.72195000
_cell_angle_alpha 64.02532000
_cell_angle_beta 90.01004000
_cell_angle_gamma 90.00351000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.17298311
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.88884560 0.87883937 0.54614471 1
C C1 1 0.88847738 0.87868393 0.95501542 1
C C2 1 0.88879372 0.15651269 0.11165379 1
C C3 1 0.38847338 0.65587509 0.15746158 1
C C4 1 0.38876535 0.65555314 0.56636643 1
C C5 1 0.38881718 0.37792048 1.00093637 1
| -154.288125 |
2,193 | C-72736-7953-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51489000
_cell_length_b 3.31815000
_cell_length_c 3.51862000
_cell_angle_alpha 90.00243000
_cell_angle_beta 120.00181000
_cell_angle_gamma 89.99397000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.53880560
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.58526225 0.15925053 0.61696523 1
C C1 1 0.88977714 0.49228727 -0.07878513 1
C C2 1 0.12153573 0.65925749 0.68953587 1
C C3 1 0.58493746 0.82702361 0.92113777 1
C C4 1 0.81659034 0.99231726 0.38477259 1
C C5 1 0.12169687 0.32691425 0.38485987 1
| -154.40983 |
8,030 | C-141033-8048-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46257000
_cell_length_b 4.19835000
_cell_length_c 7.83658000
_cell_angle_alpha 105.17620000
_cell_angle_beta 89.56490000
_cell_angle_gamma 91.23807000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 78.17632177
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.73289236 0.74193674 0.37702901 1
C C1 1 0.30611165 0.22953532 0.37164777 1
C C2 1 -0.20235937 0.86403934 0.90673801 1
C C3 1 0.60986841 0.69814545 0.17889783 1
C C4 1 0.79219177 0.43333019 0.43533707 1
C C5 1 -0.04887926 0.14698064 0.07776444 1
C C6 1 0.27787657 0.41359280 0.71404180 1
C C7 1 0.44673291 0.06956331 0.17633614 1
C C8 1 0.25668432 0.63659848 -0.09425946 1
C C9 1 0.77711877 0.89881428 0.71906508 1
C C10 1 0.78479730 0.53115696 0.63554669 1
C C11 1 0.25218796 0.94149188 0.45189957 1
C C12 1 0.10593291 0.52292440 0.07946024 1
C C13 1 0.27399501 0.04460641 0.65991662 1
| -154.218561 |
5,585 | C-79920-1187-70 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46828000
_cell_length_b 5.02702000
_cell_length_c 12.92102000
_cell_angle_alpha 101.55531000
_cell_angle_beta 105.07653000
_cell_angle_gamma 88.49894000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 151.61216084
_cell_formula_units_Z 24
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.12848629 0.66110199 0.04031236 1
C C1 1 -0.03406000 0.41399550 0.95939300 1
C C2 1 0.58211212 0.79371987 1.00508001 1
C C3 1 0.49373574 1.16801760 0.67749815 1
C C4 1 0.19100195 0.17622730 0.45253009 1
C C5 1 0.64229052 0.16809858 0.79287441 1
C C6 1 -0.11175096 0.94242687 0.86329569 1
C C7 1 0.42328595 0.87932829 0.24854452 1
C C8 1 1.14660038 0.86443326 0.42321935 1
C C9 1 0.79144423 0.58025388 0.52967635 1
C C10 1 0.62855363 0.08828934 0.03887323 1
C C11 1 0.44751989 0.75727981 0.87654878 1
C C12 1 -0.08293106 0.05236149 0.24755065 1
C C13 1 0.50664551 0.44891901 0.31967085 1
C C14 1 0.79371349 0.21582790 0.15920108 1
C C15 1 0.33227898 0.38955951 0.19241915 1
C C16 1 0.04553817 0.29277688 0.34575449 1
C C17 1 0.78106827 0.27703011 0.52031320 1
C C18 1 0.92833978 0.19645595 0.62778168 1
C C19 1 1.04982358 0.14608252 0.97758242 1
C C20 1 0.26655136 0.69887948 0.51181747 1
C C21 1 0.55650544 0.76413805 0.35440128 1
C C22 1 0.29145170 0.64590372 0.15645380 1
C C23 1 0.62339155 0.43327652 0.85998031 1
| -154.071633 |
4,244 | C-56479-4760-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68615000
_cell_length_b 4.58397000
_cell_length_c 3.35388000
_cell_angle_alpha 68.57237000
_cell_angle_beta 46.45621000
_cell_angle_gamma 75.38687000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.61226522
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48872967 0.03302881 1.15800138 1
C C1 1 0.13366706 0.53230087 0.41237154 1
C C2 1 0.63370429 0.50927920 0.42391654 1
C C3 1 0.47905699 0.71425153 1.14458418 1
C C4 1 0.77939302 1.03289474 0.16544746 1
C C5 1 0.96741727 0.31858661 0.01806484 1
C C6 1 0.78798711 0.71436675 0.49893570 1
C C7 1 0.30067319 0.31866801 0.01940026 1
| -154.203313 |
Subsets and Splits