Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
9,579 | C-102889-8686-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46336000
_cell_length_b 4.47899000
_cell_length_c 9.05970000
_cell_angle_alpha 68.42301000
_cell_angle_beta 88.05948000
_cell_angle_gamma 78.63226000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 91.04890807
_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 0.75586085 0.49386402 0.01301687 1
C C1 1 0.54322325 0.82347869 0.90577551 1
C C2 1 0.45269136 0.07006043 0.97358215 1
C C3 1 0.45101354 0.00525123 0.15104009 1
C C4 1 0.91194508 0.43863061 0.74186182 1
C C5 1 0.88886733 0.17449140 0.67114865 1
C C6 1 -0.28614369 0.37777420 0.50720010 1
C C7 1 0.28357946 0.38158948 0.12013944 1
C C8 1 0.20911895 0.45590282 0.26922918 1
C C9 1 0.42309191 -0.05716249 0.73169613 1
C C10 1 0.00783195 0.83764335 0.24161338 1
C C11 1 0.76633668 0.28722051 0.36670582 1
C C12 1 0.93119730 0.90385263 0.40195463 1
C C13 1 0.41124270 0.66407659 0.67411114 1
C C14 1 0.47709299 0.72799281 0.49482779 1
C C15 1 0.89196375 0.28123423 -0.08261100 1
| -154.131448 |
3,617 | C-141061-9666-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43217000
_cell_length_b 4.57708000
_cell_length_c 7.28640000
_cell_angle_alpha 39.53175000
_cell_angle_beta 59.89614000
_cell_angle_gamma 58.31877000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.23289826
_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 0.20683164 0.03110383 0.25683522 1
C C1 1 0.53937316 1.03342507 0.70026392 1
C C2 1 0.20683164 1.03110383 -0.07649812 1
C C3 1 1.20683164 0.03110383 0.59016855 1
C C4 1 0.53937316 1.03342507 0.03359725 1
C C5 1 0.53937316 0.03342507 0.36693058 1
| -154.462335 |
5,139 | C-73653-6772-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49168000
_cell_length_b 5.41737000
_cell_length_c 5.72833000
_cell_angle_alpha 114.34896000
_cell_angle_beta 90.01594000
_cell_angle_gamma 89.99164000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 70.44523278
_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 -0.32866747 0.81064111 0.47524617 1
C C1 1 0.67187836 0.02990182 0.35245720 1
C C2 1 0.17150076 -0.04147309 0.90675301 1
C C3 1 1.17147399 0.78998050 0.62359546 1
C C4 1 0.17094120 0.36983770 0.26206113 1
C C5 1 0.67073302 0.52767500 0.26995236 1
C C6 1 0.17164348 0.51214533 0.66913617 1
C C7 1 0.17071706 0.24413009 0.97601750 1
C C8 1 0.67167094 0.56454216 0.83433492 1
C C9 1 0.67071796 0.39402737 0.97253304 1
C C10 1 0.17177493 0.21710503 0.42369552 1
C C11 1 0.67186618 0.87740969 1.01601342 1
| -154.067681 |
184 | C-152560-3717-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25974000
_cell_length_b 3.34402000
_cell_length_c 4.99565000
_cell_angle_alpha 83.79604000
_cell_angle_beta 85.06068000
_cell_angle_gamma 57.95221000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 59.92856910
_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 0.79812567 0.23844483 0.07191846 1
C C1 1 0.23614088 0.26025929 0.34105700 1
C C2 1 0.62322350 0.20147861 0.33345418 1
C C3 1 0.28880955 0.93014674 0.60177819 1
C C4 1 0.30494390 0.22891606 0.82154888 1
C C5 1 0.63950069 0.49932822 0.55459066 1
C C6 1 0.13029709 0.19219498 0.08305146 1
C C7 1 0.69215144 1.16932317 0.81464967 1
C C8 1 0.03666247 0.74977213 0.69501281 1
C C9 1 0.89144670 0.67999096 0.46027969 1
| -154.16312 |
6,216 | C-152571-7702-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46026000
_cell_length_b 3.39261000
_cell_length_c 6.02122000
_cell_angle_alpha 61.52269000
_cell_angle_beta 101.74143000
_cell_angle_gamma 111.14555000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.17155496
_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 0.37289740 0.27716009 0.58900865 1
C C1 1 -0.03078852 0.34451488 0.71596418 1
C C2 1 0.82811349 0.58990281 0.18665487 1
C C3 1 0.19961429 0.73425069 0.78409258 1
C C4 1 0.79592624 -0.19859474 0.91112038 1
C C5 1 0.34159189 0.48865997 0.31354295 1
| -154.156738 |
2,098 | C-148240-6826-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43080000
_cell_length_b 5.78596000
_cell_length_c 4.20530000
_cell_angle_alpha 73.93005000
_cell_angle_beta 89.93720000
_cell_angle_gamma 92.35387000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.78160722
_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 0.96625071 0.89594086 0.01913927 1
C C1 1 0.46610569 0.89390710 0.85280004 1
C C2 1 0.96610569 0.89390710 0.35280004 1
C C3 1 0.04583139 0.39412104 0.83025332 1
C C4 1 0.04597591 0.39614845 0.49654776 1
C C5 1 0.54583139 0.39412104 0.33025332 1
C C6 1 0.46625071 0.89594086 0.51913927 1
C C7 1 0.54597591 0.39614845 -0.00345224 1
| -154.445158 |
4,651 | C-90819-6500-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48172000
_cell_length_b 5.57139000
_cell_length_c 3.66736000
_cell_angle_alpha 109.26431000
_cell_angle_beta 89.98745000
_cell_angle_gamma 102.85467000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.52049999
_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 0.62852073 0.93732646 0.23846695 1
C C1 1 0.12855905 0.93723420 -0.00074334 1
C C2 1 0.24033956 0.16180024 0.85088465 1
C C3 1 0.36370694 0.40349226 0.23291419 1
C C4 1 0.74036932 0.16159992 0.61164041 1
C C5 1 0.47181439 0.62787593 0.08352829 1
C C6 1 0.86368924 0.40358997 0.47144299 1
C C7 1 -0.02797825 0.62789852 0.84531645 1
| -154.244843 |
7,778 | C-192668-6726-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12874000
_cell_length_b 3.39920000
_cell_length_c 11.09542000
_cell_angle_alpha 84.73527000
_cell_angle_beta 85.46705000
_cell_angle_gamma 77.90533000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 151.33257854
_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 1.22695054 -0.15736052 0.15563563 1
C C1 1 0.75540296 0.64809540 0.24268323 1
C C2 1 0.26373965 0.57586268 0.94655942 1
C C3 1 0.64332338 0.25557680 0.08301642 1
C C4 1 0.83677251 0.15999789 0.43566839 1
C C5 1 0.48819762 0.03386613 0.18597508 1
C C6 1 0.56035540 0.29088567 0.95482710 1
C C7 1 0.32823478 0.26839712 0.29652859 1
C C8 1 0.91234417 0.96819375 0.65640593 1
C C9 1 1.08562088 0.69705899 0.27106881 1
C C10 1 0.73409603 0.68622110 0.60004477 1
C C11 1 0.86016094 0.46499026 0.12287309 1
C C12 1 0.96889350 0.30830911 0.55335440 1
C C13 1 0.60118741 0.43692626 0.35072455 1
C C14 1 0.57274727 -0.03838733 0.50304699 1
C C15 1 0.39615247 0.69675415 0.44350598 1
C C16 1 0.18068185 0.75584051 0.72974730 1
C C17 1 -0.24210042 0.09079973 0.85780557 1
C C18 1 0.08113798 0.79029588 0.84946218 1
C C19 1 1.13816127 -0.04568492 0.36803676 1
C C20 1 0.11658510 0.65064859 0.06698994 1
C C21 1 0.66205210 0.17316566 0.74179547 1
C C22 1 0.32713744 0.35571002 0.54519312 1
C C23 1 0.45630887 0.49372855 0.66811286 1
| -154.080009 |
5,647 | C-106885-2076-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48275000
_cell_length_b 3.97988000
_cell_length_c 8.09199000
_cell_angle_alpha 85.43848000
_cell_angle_beta 89.99754000
_cell_angle_gamma 90.00484000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 79.70407008
_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 0.28674916 1.13114672 0.73726084 1
C C1 1 0.28667407 0.87048175 0.22888865 1
C C2 1 0.78666515 0.87725421 0.32588367 1
C C3 1 0.28675064 -0.03576552 0.57624953 1
C C4 1 0.78653178 0.71449909 0.99636690 1
C C5 1 0.78675443 -0.05715543 0.48468818 1
C C6 1 -0.21341967 1.09551341 0.99369163 1
C C7 1 0.78668837 0.62033525 0.81726618 1
C C8 1 0.28659761 0.18757140 0.08982169 1
C C9 1 0.78677781 0.24969425 0.81404428 1
C C10 1 0.28669243 0.76446350 0.74265718 1
C C11 1 0.28652631 0.59126157 0.09321567 1
| -154.206418 |
989 | C-152575-7588-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43372000
_cell_length_b 3.21839000
_cell_length_c 6.40109000
_cell_angle_alpha 91.24155000
_cell_angle_beta 100.74554000
_cell_angle_gamma 116.28586000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.85456880
_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 0.75174386 0.57418169 0.01918875 1
C C1 1 0.53091847 0.57750695 0.57489426 1
C C2 1 0.86324495 0.57617412 0.24119020 1
C C3 1 0.08627143 0.57575026 0.68603876 1
C C4 1 0.41999023 0.57616187 0.35291802 1
C C5 1 1.19603366 0.57544342 0.90801622 1
| -154.450242 |
7,491 | C-80205-231-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48757000
_cell_length_b 4.30259000
_cell_length_c 6.57747000
_cell_angle_alpha 109.11537000
_cell_angle_beta 100.87963000
_cell_angle_gamma 89.99660000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 65.17652640
_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 0.52948086 -0.01140286 0.18568174 1
C C1 1 0.02975146 0.48858142 0.18564792 1
C C2 1 0.73705497 0.53069561 0.60260477 1
C C3 1 0.36317366 1.15570888 0.85279454 1
C C4 1 0.19610638 0.32219590 0.51902567 1
C C5 1 0.69582235 0.82220991 0.51903610 1
C C6 1 0.86318995 0.65571033 0.85275924 1
C C7 1 0.40378229 0.86383764 0.93572935 1
C C8 1 0.07025724 0.19688302 0.26882110 1
C C9 1 0.90382822 0.36382674 -0.06429378 1
C C10 1 0.57050035 0.69688152 0.26881234 1
C C11 1 0.23675055 1.03070579 0.60265562 1
| -154.544624 |
1,965 | C-177222-86-59 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12079000
_cell_length_b 6.11516000
_cell_length_c 4.72785000
_cell_angle_alpha 48.05512000
_cell_angle_beta 54.00392000
_cell_angle_gamma 60.25373000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 87.76886153
_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 0.20270970 0.30438672 0.49654063 1
C C1 1 -0.00258622 1.09898484 0.71804472 1
C C2 1 0.31629576 0.41741479 0.08300614 1
C C3 1 0.83749457 0.93743212 0.14559640 1
C C4 1 0.99684748 0.09959863 0.40390058 1
C C5 1 0.83809440 -0.06291207 0.45949852 1
C C6 1 0.30650760 0.40728513 0.59823876 1
C C7 1 0.52976327 0.62849496 0.26527848 1
C C8 1 0.63331156 0.73159632 0.85430254 1
C C9 1 0.20273438 0.30438996 0.00921843 1
C C10 1 0.52008916 0.61803342 0.78089995 1
C C11 1 0.63296215 0.73156427 0.36721654 1
| -154.256148 |
835 | C-136214-3679-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46456000
_cell_length_b 3.38452000
_cell_length_c 5.81859000
_cell_angle_alpha 82.76429000
_cell_angle_beta 64.90037000
_cell_angle_gamma 68.69145000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 40.92428028
_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 0.29493546 0.18285679 0.19114638 1
C C1 1 0.26579370 0.43814572 0.59143946 1
C C2 1 0.94097437 0.14195584 0.06556803 1
C C3 1 0.24994389 0.07190603 0.79036331 1
C C4 1 -0.01793785 0.25487931 0.46620951 1
C C5 1 0.96656782 0.88843911 0.66499310 1
| -154.161373 |
3,964 | C-170368-1522-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43077000
_cell_length_b 3.82027000
_cell_length_c 5.88674000
_cell_angle_alpha 125.18199000
_cell_angle_beta 81.14686000
_cell_angle_gamma 87.73527000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.58745058
_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 0.38791094 0.75905738 1.11184372 1
C C1 1 1.05457761 1.09239071 0.77851038 1
C C2 1 0.72124428 0.42572405 0.44517705 1
C C3 1 0.49939169 0.31496362 0.88871922 1
C C4 1 0.16605836 0.64829695 0.55538588 1
C C5 1 0.83272502 0.98163029 0.22205255 1
| -154.463211 |
9,195 | C-76034-2029-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12234000
_cell_length_b 4.04738000
_cell_length_c 7.39371000
_cell_angle_alpha 78.71514000
_cell_angle_beta 96.44336000
_cell_angle_gamma 107.80902000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 87.10189908
_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 0.46063615 0.76439189 0.29033687 1
C C1 1 0.62107139 0.61049138 0.60948585 1
C C2 1 0.04183944 0.18530189 0.45519592 1
C C3 1 0.72635011 0.50167123 0.80542813 1
C C4 1 -0.20563276 0.09406800 0.29032636 1
C C5 1 0.31048285 -0.07886117 0.96142498 1
C C6 1 0.63813692 0.24995036 0.96056874 1
C C7 1 1.05947508 0.82551970 0.80600612 1
C C8 1 1.22182100 0.67128603 0.12511848 1
C C9 1 -0.04637165 0.93396322 0.61019387 1
C C10 1 0.88985529 0.33952442 0.12520970 1
C C11 1 0.36913648 0.51508435 0.45420558 1
| -154.179698 |
5,931 | C-57142-7457-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47234000
_cell_length_b 5.64918000
_cell_length_c 4.98862000
_cell_angle_alpha 78.12915000
_cell_angle_beta 84.57576000
_cell_angle_gamma 86.17496000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.79919588
_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 0.36999068 0.76902256 0.72921556 1
C C1 1 0.54732409 0.31314586 0.97622600 1
C C2 1 0.17191599 0.23696832 0.81345570 1
C C3 1 0.41783686 0.56825048 0.98499993 1
C C4 1 0.31145493 0.35947058 0.50559293 1
C C5 1 0.31006471 -0.03242365 0.89394145 1
C C6 1 0.86900667 0.62782087 0.13415445 1
C C7 1 0.88257407 1.00387201 0.32687155 1
C C8 1 0.82546420 0.89754056 0.07324707 1
C C9 1 0.83184726 0.52530062 0.43544347 1
C C10 1 0.88287244 0.76693172 0.55871114 1
C C11 1 0.38983580 0.17084338 0.30475595 1
| -154.125433 |
4,587 | C-40116-9251-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51748000
_cell_length_b 2.48733000
_cell_length_c 4.30463000
_cell_angle_alpha 73.19474000
_cell_angle_beta 65.88826000
_cell_angle_gamma 89.98564000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.60697915
_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 0.82968962 0.51119914 0.04923944 1
C C1 1 0.41310395 0.34451506 0.38259122 1
C C2 1 0.74643728 0.67784839 0.71592456 1
C C3 1 0.16302295 0.84453248 0.38257278 1
C C4 1 0.07977061 0.01118172 0.04925789 1
C C5 1 0.49635629 1.17786581 0.71590611 1
| -154.544847 |
1,206 | C-13673-3188-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40465000
_cell_length_b 3.35356000
_cell_length_c 4.57628000
_cell_angle_alpha 68.61159000
_cell_angle_beta 90.53916000
_cell_angle_gamma 92.11021000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.61861808
_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 0.92075463 0.56521957 0.69210988 1
C C1 1 0.44377619 0.93913254 0.97819887 1
C C2 1 0.27623459 0.16587804 0.19180390 1
C C3 1 0.77622481 0.67801598 0.16775665 1
C C4 1 0.63437883 0.26500028 0.69294808 1
C C5 1 0.11081155 0.60476286 0.97770639 1
C C6 1 0.62203609 0.24380793 0.37289413 1
C C7 1 0.92945531 0.90768339 0.37273751 1
| -154.195501 |
1,451 | C-170890-7665-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48327000
_cell_length_b 5.01021000
_cell_length_c 4.05095000
_cell_angle_alpha 66.15854000
_cell_angle_beta 101.02907000
_cell_angle_gamma 94.39484000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.24843042
_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 0.23706277 0.38555379 0.17789586 1
C C1 1 0.10789263 0.10140816 0.13033260 1
C C2 1 0.42685750 0.90981527 0.83640264 1
C C3 1 0.73784679 0.62635823 0.55804309 1
C C4 1 0.60822730 0.91001713 0.22626430 1
C C5 1 0.29100944 0.62645458 0.78799634 1
C C6 1 0.79037117 0.38546126 0.40947458 1
C C7 1 0.92661879 0.10139587 0.74074738 1
| -154.069614 |
9,698 | C-92144-1112-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.56416000
_cell_length_b 2.47923000
_cell_length_c 5.72735000
_cell_angle_alpha 77.55583000
_cell_angle_beta 89.18708000
_cell_angle_gamma 90.04698000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.55033028
_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 -0.01270991 0.56780250 0.32456833 1
C C1 1 0.48357964 0.91688135 0.62993598 1
C C2 1 0.98823583 0.99524173 0.46955099 1
C C3 1 0.97300042 0.26193365 0.94536278 1
C C4 1 0.47943915 0.34059548 0.78458080 1
C C5 1 -0.02739484 0.68959040 1.08950261 1
| -154.284816 |
1,991 | C-141049-5998-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45989000
_cell_length_b 3.39564000
_cell_length_c 6.01607000
_cell_angle_alpha 70.90348000
_cell_angle_beta 78.17885000
_cell_angle_gamma 111.21584000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.17976895
_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 0.66204219 0.16569185 0.82196609 1
C C1 1 0.04794294 1.06385147 0.94882239 1
C C2 1 0.80532391 0.85260935 0.22442956 1
C C3 1 0.43753450 0.31101840 0.41909295 1
C C4 1 0.90691694 0.37799478 0.54641780 1
C C5 1 0.27635312 -0.07912115 0.35126181 1
| -154.155948 |
4,732 | C-126138-5994-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31123000
_cell_length_b 5.85600000
_cell_length_c 3.39780000
_cell_angle_alpha 80.46568000
_cell_angle_beta 87.40969000
_cell_angle_gamma 64.34186000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.54210345
_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 0.14531567 0.80540954 0.50320135 1
C C1 1 0.77707052 0.06752641 0.57788129 1
C C2 1 0.22349970 0.47930504 0.07385084 1
C C3 1 0.42785131 0.64903409 0.87390908 1
C C4 1 0.59377252 0.20577312 0.16402201 1
C C5 1 0.44201705 1.05069999 0.93721146 1
C C6 1 0.94456293 0.63119323 0.37907828 1
C C7 1 0.48696363 0.79881097 0.16960480 1
C C8 1 -0.04784306 0.20529938 0.83269673 1
C C9 1 -0.10920617 0.48063974 0.76095095 1
| -154.306322 |
9,989 | C-41300-4225-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26297000
_cell_length_b 4.23176000
_cell_length_c 4.24270000
_cell_angle_alpha 59.99493000
_cell_angle_beta 49.72703000
_cell_angle_gamma 56.15106000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.20436186
_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 -0.00233797 0.95743601 1.01710725 1
C C1 1 0.82824590 0.33846747 0.75003131 1
C C2 1 0.99807161 0.95693711 0.37828823 1
C C3 1 0.82992161 0.33810048 0.43271572 1
C C4 1 0.65968275 0.72031505 0.80437154 1
C C5 1 0.66004470 0.71968658 0.16554815 1
| -154.196328 |
7,009 | C-148230-2113-55 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33591000
_cell_length_b 4.66555000
_cell_length_c 4.87379000
_cell_angle_alpha 126.62365000
_cell_angle_beta 87.41564000
_cell_angle_gamma 78.55192000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.36473704
_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 -0.16384318 0.81909979 0.44323585 1
C C1 1 0.27737897 0.13594112 -0.00467498 1
C C2 1 0.80727129 0.32342597 0.46931021 1
C C3 1 0.52567449 0.13710311 0.75543962 1
C C4 1 0.28496236 0.82097129 0.99222702 1
C C5 1 -0.03267538 0.45389315 0.30771367 1
C C6 1 0.51929568 0.45196025 0.75934310 1
C C7 1 -0.00557474 -0.05037639 0.28106041 1
| -154.198603 |
9,479 | C-126165-3752-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49497000
_cell_length_b 5.58049000
_cell_length_c 5.00214000
_cell_angle_alpha 109.37067000
_cell_angle_beta 89.94357000
_cell_angle_gamma 116.50184000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.90064757
_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 0.59429923 0.59963593 0.79201224 1
C C1 1 0.44818120 0.95431243 0.64892299 1
C C2 1 0.28060095 0.78570059 0.33136054 1
C C3 1 1.31960178 0.32650077 0.51890507 1
C C4 1 0.40620338 0.41406595 0.97587362 1
C C5 1 0.44971566 -0.04496088 0.16301022 1
C C6 1 0.13354439 0.14117815 0.70239331 1
C C7 1 0.76703438 0.27303710 0.33202317 1
C C8 1 -0.04048762 0.46761742 0.16239115 1
C C9 1 0.28116586 0.78669064 0.84588110 1
| -154.246397 |
8,158 | C-73623-520-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43107000
_cell_length_b 6.12608000
_cell_length_c 8.49043000
_cell_angle_alpha 134.10115000
_cell_angle_beta 89.95924000
_cell_angle_gamma 101.47025000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 87.27038048
_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 0.36336387 0.88171830 0.80078908 1
C C1 1 0.33275837 0.83191607 0.94948301 1
C C2 1 0.86328786 -0.11825054 0.72224306 1
C C3 1 0.90285999 0.97362114 0.09447217 1
C C4 1 0.40252908 0.97323342 0.52057157 1
C C5 1 0.07581476 0.32382091 0.25062011 1
C C6 1 0.87941714 0.92465551 0.24374373 1
C C7 1 0.37954629 -0.07503975 0.32238005 1
C C8 1 1.15424869 0.48155623 0.79375600 1
C C9 1 0.83277839 0.83208967 0.52356224 1
C C10 1 0.65454488 0.48145976 0.32966356 1
C C11 1 0.57546879 0.32381448 0.71489273 1
| -154.286335 |
5,199 | C-13941-680-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.55084000
_cell_length_b 2.45982000
_cell_length_c 6.29819000
_cell_angle_alpha 101.27704000
_cell_angle_beta 103.08504000
_cell_angle_gamma 89.88250000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 37.71250498
_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 0.29571664 0.78055068 0.97915802 1
C C1 1 0.46709040 0.45916244 0.33939585 1
C C2 1 0.52190481 1.01871895 0.45726459 1
C C3 1 0.63104547 1.13205383 0.68731221 1
C C4 1 0.36295390 0.34633344 0.11003616 1
C C5 1 0.69980018 0.69900336 0.81899307 1
| -154.186376 |
8,130 | C-28211-2820-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48760000
_cell_length_b 3.51770000
_cell_length_c 4.30464000
_cell_angle_alpha 114.10600000
_cell_angle_beta 106.76698000
_cell_angle_gamma 90.00289000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.62075008
_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 0.00786316 0.98731705 0.54756761 1
C C1 1 1.17457694 0.90429535 0.88093619 1
C C2 1 0.50791027 0.23762868 0.54760285 1
C C3 1 0.67452983 0.65398372 0.88090095 1
C C4 1 0.84124361 0.57096202 0.21426952 1
C C5 1 0.34119649 0.32065038 0.21423428 1
| -154.546326 |
4,285 | C-134191-3585-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37958000
_cell_length_b 4.18042000
_cell_length_c 7.31683000
_cell_angle_alpha 79.86628000
_cell_angle_beta 102.31896000
_cell_angle_gamma 70.52984000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 91.72824613
_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 0.38250241 0.40488073 0.68801848 1
C C1 1 0.30847008 0.81535061 0.05278850 1
C C2 1 0.97583152 0.20617709 0.03467073 1
C C3 1 0.74164483 0.46254783 0.84157565 1
C C4 1 0.43851302 0.49868982 0.48183913 1
C C5 1 0.66976088 0.80865590 0.23469712 1
C C6 1 0.72122831 0.15646917 0.17927926 1
C C7 1 1.01989760 0.62957307 0.74918086 1
C C8 1 0.26593947 0.44175006 0.13365201 1
C C9 1 0.32000527 1.07301290 0.68276882 1
C C10 1 0.68649578 0.91155410 0.58831360 1
C C11 1 0.86946740 0.17322739 0.52805122 1
C C12 1 0.35666304 0.78042036 0.85424495 1
C C13 1 0.02552773 0.15347745 0.35595149 1
C C14 1 0.10502305 0.48054076 0.30724981 1
C C15 1 0.46515531 0.83869234 0.41021316 1
| -154.163276 |
1,767 | C-106873-5485-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05111000
_cell_length_b 3.80152000
_cell_length_c 5.67594000
_cell_angle_alpha 81.75211000
_cell_angle_beta 79.39787000
_cell_angle_gamma 65.73932000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.82625269
_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 0.26016977 0.85425708 0.82321739 1
C C1 1 0.75771303 0.34796018 0.05382682 1
C C2 1 0.12302549 -0.01634037 0.05310416 1
C C3 1 0.63298980 0.48182122 0.82253582 1
C C4 1 0.25154731 0.85153431 0.28396344 1
C C5 1 -0.05564272 0.16834483 0.67330005 1
C C6 1 0.62516998 0.47888971 0.28331866 1
C C7 1 0.94543134 0.16597214 0.43340956 1
| -154.091478 |
3,663 | C-130550-4259-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06259000
_cell_length_b 4.82994000
_cell_length_c 3.08225000
_cell_angle_alpha 120.61736000
_cell_angle_beta 70.56887000
_cell_angle_gamma 124.31797000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.89961873
_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 0.33902636 0.25825824 0.73982424 1
C C1 1 0.67449127 0.59204157 0.74263885 1
C C2 1 0.67285811 0.92501360 1.07395586 1
C C3 1 1.00796863 0.25885107 1.07611588 1
C C4 1 0.34073462 -0.07464927 0.40856558 1
C C5 1 0.00623880 0.59182858 0.40723328 1
| -154.449826 |
4,316 | C-189738-7344-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.78449000
_cell_length_b 3.63937000
_cell_length_c 5.05094000
_cell_angle_alpha 112.19231000
_cell_angle_beta 110.90746000
_cell_angle_gamma 88.13638000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.96238893
_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 0.75471049 -0.01385590 0.25801689 1
C C1 1 0.24804377 0.04596681 0.75815500 1
C C2 1 0.94496122 0.39164023 0.44916670 1
C C3 1 0.24746096 0.42717669 0.75764436 1
C C4 1 0.43889986 0.83257010 -0.05133788 1
C C5 1 0.94451390 0.77244968 0.44846213 1
| -154.136154 |
5,671 | C-57109-5472-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33153000
_cell_length_b 3.32408000
_cell_length_c 4.67848000
_cell_angle_alpha 89.92667000
_cell_angle_beta 69.20158000
_cell_angle_gamma 89.97337000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.43449755
_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 -0.09037073 0.73445387 0.76728442 1
C C1 1 0.59245939 0.38305792 0.75397144 1
C C2 1 0.41946346 0.25509488 0.09751097 1
C C3 1 1.04660047 -0.03749000 0.25032938 1
C C4 1 0.73308193 0.00209808 0.58096631 1
C C5 1 0.38967509 0.63608154 0.26986959 1
C C6 1 0.37190673 0.67462362 0.60100813 1
C C7 1 0.75134935 0.90181289 0.08351436 1
| -154.144209 |
4,175 | C-152603-7618-22 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.69892000
_cell_length_b 4.13410000
_cell_length_c 5.17930000
_cell_angle_alpha 60.93762000
_cell_angle_beta 112.97704000
_cell_angle_gamma 119.76864000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.99086376
_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 0.61730011 1.02269662 0.09800800 1
C C1 1 1.05580205 0.96508683 0.59611156 1
C C2 1 0.40586878 0.61792849 0.28962693 1
C C3 1 0.02395369 0.23549536 0.29019003 1
C C4 1 0.67380214 0.58278742 0.59660598 1
C C5 1 0.46255133 0.17812727 0.78794321 1
| -154.102345 |
7,728 | C-40093-9787-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48150000
_cell_length_b 3.74197000
_cell_length_c 3.84423000
_cell_angle_alpha 89.95007000
_cell_angle_beta 90.02611000
_cell_angle_gamma 89.97002000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.69633880
_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 0.08531653 0.32836590 0.88959939 1
C C1 1 0.58531837 0.82450004 0.59529285 1
C C2 1 0.58529388 0.55764036 0.88991508 1
C C3 1 0.08532891 0.06146673 0.18466713 1
C C4 1 0.08483890 0.06227311 0.59472791 1
C C5 1 0.58580571 0.82394446 0.18511155 1
| -154.150164 |
6,992 | C-56477-948-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48727000
_cell_length_b 2.48685000
_cell_length_c 8.24244000
_cell_angle_alpha 89.99729000
_cell_angle_beta 81.32339000
_cell_angle_gamma 59.98234000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.47005783
_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 0.44268323 0.14307927 -0.09952755 1
C C1 1 0.56661529 0.07939181 0.71292304 1
C C2 1 0.56815898 0.57819454 0.21296009 1
C C3 1 0.06786393 0.32952516 0.46298865 1
C C4 1 0.44371602 0.64171893 0.40059391 1
C C5 1 0.94376498 0.89062995 0.15054109 1
C C6 1 1.06703852 0.83077440 0.96288813 1
C C7 1 -0.05756935 0.39154945 0.65055655 1
| -154.539141 |
6,037 | C-172935-9081-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48030000
_cell_length_b 4.83724000
_cell_length_c 4.21877000
_cell_angle_alpha 132.53915000
_cell_angle_beta 89.86857000
_cell_angle_gamma 105.03017000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.93769731
_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 0.36923697 0.18863669 0.77830272 1
C C1 1 0.88946609 0.22857736 0.59626175 1
C C2 1 0.14478613 0.74247876 0.53881175 1
C C3 1 0.69265839 0.83146143 0.12325401 1
C C4 1 0.11425643 0.67476970 0.83573948 1
C C5 1 0.56647719 0.58582594 0.25131818 1
| -154.305939 |
6,605 | C-92134-5968-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48134000
_cell_length_b 4.84102000
_cell_length_c 3.68899000
_cell_angle_alpha 57.39313000
_cell_angle_beta 70.33129000
_cell_angle_gamma 75.20421000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99743349
_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 0.26890593 0.26965184 0.61275737 1
C C1 1 0.06825548 0.19393574 1.08631324 1
C C2 1 0.84734892 0.40048019 0.32516115 1
C C3 1 0.80841798 0.76569134 0.02982841 1
C C4 1 0.38686097 0.89651969 0.74223219 1
C C5 1 0.58751142 0.97223578 0.26867632 1
| -154.310066 |
9,854 | C-22165-3877-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59975000
_cell_length_b 4.90821000
_cell_length_c 5.40614000
_cell_angle_alpha 87.03590000
_cell_angle_beta 77.75911000
_cell_angle_gamma 88.76056000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 119.11036686
_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 0.57170708 0.90949488 0.38888077 1
C C1 1 1.01015090 -0.09420436 0.63881990 1
C C2 1 0.60130265 0.73509490 0.96532854 1
C C3 1 0.38529418 0.64294852 0.81150240 1
C C4 1 0.39318936 0.14447596 0.78792910 1
C C5 1 0.11648807 0.08408172 0.20711289 1
C C6 1 0.59419739 1.05670038 0.95770077 1
C C7 1 0.50960633 0.39950515 0.63582452 1
C C8 1 0.40795109 0.41453412 0.37467259 1
C C9 1 0.90687788 0.96541085 0.39414966 1
C C10 1 0.10601063 1.21679100 0.95544073 1
C C11 1 0.34875233 0.89701291 0.64157641 1
C C12 1 0.84484962 0.40765621 0.64416586 1
C C13 1 0.94239576 0.57152261 0.21952383 1
C C14 1 0.09201537 0.54232355 0.95774482 1
C C15 1 0.88538229 0.64986439 0.79665533 1
C C16 1 0.61051687 0.64188282 0.23744719 1
C C17 1 0.44147612 0.12679052 0.23228820 1
C C18 1 0.88794694 0.14791230 0.80654000 1
C C19 1 0.06597646 0.46091618 0.40545146 1
| -154.159752 |
8,717 | C-172926-5427-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48151000
_cell_length_b 3.68951000
_cell_length_c 4.21600000
_cell_angle_alpha 75.22466000
_cell_angle_beta 90.02838000
_cell_angle_gamma 70.34823000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99144239
_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 0.55060651 0.72555022 0.71242950 1
C C1 1 0.35314676 0.12361730 0.78746691 1
C C2 1 0.77501745 0.28002894 0.91859219 1
C C3 1 0.03134173 0.76393041 0.49003788 1
C C4 1 0.80680109 0.20936421 0.28360661 1
C C5 1 0.22831585 0.36647462 0.41439461 1
| -154.310416 |
1,073 | C-56489-4783-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47330000
_cell_length_b 4.61976000
_cell_length_c 6.48413000
_cell_angle_alpha 69.35008000
_cell_angle_beta 99.04910000
_cell_angle_gamma 87.09132000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.01148405
_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 -0.03471701 0.63958190 0.72730223 1
C C1 1 0.58633402 0.09115948 0.26106743 1
C C2 1 0.88660839 0.89659019 0.99671669 1
C C3 1 0.16661780 0.07496797 0.40425713 1
C C4 1 0.54155712 0.55142979 0.29442008 1
C C5 1 1.08885366 0.33153404 0.67428800 1
C C6 1 0.41684277 0.85239896 0.64220628 1
C C7 1 0.63640184 0.11856404 0.75922826 1
C C8 1 0.46718070 0.88160347 0.13995571 1
C C9 1 0.09335667 0.40581731 0.42472946 1
C C10 1 0.51567357 0.42115091 0.10740216 1
C C11 1 0.96338157 0.56538625 0.97707088 1
| -154.161858 |
3,699 | C-157672-8945-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89897000
_cell_length_b 4.93304000
_cell_length_c 3.43277000
_cell_angle_alpha 86.72052000
_cell_angle_beta 108.29137000
_cell_angle_gamma 112.35867000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.83058248
_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 0.62363626 0.80200612 0.66462437 1
C C1 1 0.74306048 1.01043834 0.03343926 1
C C2 1 0.97215056 0.94918571 0.46207138 1
C C3 1 -0.04987604 0.29736146 0.86750445 1
C C4 1 0.44454459 0.47029962 0.54804206 1
C C5 1 0.72080927 0.35730637 0.43952594 1
C C6 1 0.07057596 0.50562055 0.23719261 1
C C7 1 0.45391201 0.09068474 0.13080959 1
C C8 1 0.23930055 0.21703392 0.77046867 1
C C9 1 0.24879975 0.83716006 0.35324328 1
| -154.074804 |
6,997 | C-47664-5276-50 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46620000
_cell_length_b 3.31046000
_cell_length_c 6.53309000
_cell_angle_alpha 101.65322000
_cell_angle_beta 97.46152000
_cell_angle_gamma 103.74539000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.84775002
_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 0.86291717 0.42599337 0.10256074 1
C C1 1 0.43341423 0.65015809 0.81443137 1
C C2 1 -0.03221125 0.53851384 0.31292821 1
C C3 1 0.29798531 0.36187909 0.97377256 1
C C4 1 0.39889872 0.31886905 0.60144846 1
C C5 1 0.82359883 0.04534574 0.60089046 1
C C6 1 0.53333305 0.60453586 0.44178535 1
C C7 1 0.00832765 0.92190286 0.81438716 1
| -154.17946 |
2,788 | C-80170-5210-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47394000
_cell_length_b 4.27948000
_cell_length_c 4.11840000
_cell_angle_alpha 89.99625000
_cell_angle_beta 89.98731000
_cell_angle_gamma 89.99838000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.60222755
_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 0.24300756 0.24664841 0.87789037 1
C C1 1 0.74280384 0.74657784 0.87754246 1
C C2 1 0.24257703 0.91314723 1.00355778 1
C C3 1 0.74247354 0.74664684 0.50356763 1
C C4 1 0.74235477 0.41332761 0.37788670 1
C C5 1 0.74281983 0.41314665 1.00393901 1
C C6 1 0.24265255 0.91332938 0.37756343 1
C C7 1 0.24220107 0.24668734 0.50393102 1
| -154.51741 |
5,619 | C-170908-5383-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43203000
_cell_length_b 4.20141000
_cell_length_c 6.03287000
_cell_angle_alpha 70.48509000
_cell_angle_beta 101.47866000
_cell_angle_gamma 90.19103000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.80714521
_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 1.28646203 0.47491152 0.35363687 1
C C1 1 0.11778349 0.06807774 0.85520002 1
C C2 1 0.61834929 0.90088832 0.85524782 1
C C3 1 -0.21353797 -0.02508848 0.35363687 1
C C4 1 0.78589623 0.64210094 0.35358907 1
C C5 1 0.28589623 0.14210094 0.35358907 1
C C6 1 1.11834929 0.40088832 0.85524782 1
C C7 1 0.61778349 0.56807774 -0.14479998 1
| -154.445 |
6,709 | C-126140-1845-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42633000
_cell_length_b 4.22733000
_cell_length_c 4.22731000
_cell_angle_alpha 87.67141000
_cell_angle_beta 90.00228000
_cell_angle_gamma 90.01589000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.32328014
_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 0.93570839 0.57569384 0.38279843 1
C C1 1 0.43546797 0.08199387 0.29840263 1
C C2 1 0.93563471 0.22661315 0.44272237 1
C C3 1 0.43541315 0.14286170 0.94875242 1
C C4 1 0.43586052 0.73250498 0.35865005 1
C C5 1 0.93534086 0.16599356 0.79211122 1
| -154.310367 |
7,513 | C-80166-8785-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43974000
_cell_length_b 4.84071000
_cell_length_c 6.77576000
_cell_angle_alpha 114.44364000
_cell_angle_beta 79.82211000
_cell_angle_gamma 120.16673000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 62.93383837
_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 0.60739057 0.61764137 0.57761720 1
C C1 1 0.89231975 0.24243720 0.24751571 1
C C2 1 1.16210255 0.72729655 0.68434006 1
C C3 1 -0.10660858 -0.22871508 0.29878390 1
C C4 1 0.29513136 0.96756624 0.90052575 1
C C5 1 0.55431752 0.44948124 0.33776021 1
C C6 1 0.55070825 -0.07813307 0.28813777 1
C C7 1 0.84871527 1.07643205 1.00790460 1
| -154.245549 |
4,255 | C-141026-3786-14 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48821000
_cell_length_b 3.51679000
_cell_length_c 4.30409000
_cell_angle_alpha 114.09274000
_cell_angle_beta 106.76580000
_cell_angle_gamma 90.01154000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.61936554
_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 0.77472099 0.32517538 0.29564700 1
C C1 1 1.10810763 0.65851182 0.96231079 1
C C2 1 0.94154320 0.74228918 0.62913122 1
C C3 1 0.44149674 -0.00815662 0.62897596 1
C C4 1 0.27476745 0.07562118 0.29580227 1
C C5 1 0.60815656 0.40895274 0.96246743 1
| -154.549093 |
7,289 | C-96692-7228-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44264000
_cell_length_b 5.41663000
_cell_length_c 5.15532000
_cell_angle_alpha 101.50728000
_cell_angle_beta 61.73194000
_cell_angle_gamma 89.99525000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.51288428
_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 -0.22722843 0.20771341 0.46603560 1
C C1 1 -0.34936562 0.48813516 0.58847572 1
C C2 1 0.28032222 0.50306706 0.96122067 1
C C3 1 0.24465012 0.62408933 0.49432841 1
C C4 1 0.61117610 0.63862372 1.12951727 1
C C5 1 0.28298784 0.23539685 0.95723876 1
C C6 1 1.07549917 0.07029291 0.16257757 1
C C7 1 0.68118079 0.89885057 0.05806604 1
C C8 1 0.55997572 1.05015951 0.67660279 1
C C9 1 1.03673637 0.88569397 0.70130797 1
| -154.080443 |
2,119 | C-126143-7642-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44294000
_cell_length_b 5.31920000
_cell_length_c 8.34484000
_cell_angle_alpha 77.87380000
_cell_angle_beta 64.05337000
_cell_angle_gamma 89.90791000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 94.82679209
_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 0.34525073 0.73403828 0.55755925 1
C C1 1 0.13913237 0.50913436 0.36044609 1
C C2 1 1.22694359 0.00373310 0.30096498 1
C C3 1 0.64645203 0.12650216 0.35441911 1
C C4 1 0.02066205 0.73330419 0.44007152 1
C C5 1 0.09682053 0.48099836 0.72428148 1
C C6 1 1.10404616 0.87394668 0.05300758 1
C C7 1 0.85937259 0.60521542 0.88332276 1
C C8 1 0.50697819 -0.05321760 0.11697906 1
C C9 1 0.61940801 0.33140906 0.70864837 1
C C10 1 0.68009880 0.39972372 0.33318254 1
C C11 1 0.70367865 1.10953310 0.65072617 1
C C12 1 0.30277092 1.01189463 0.58423722 1
C C13 1 0.27819625 0.69191364 0.93738017 1
| -154.208162 |
9,685 | C-13915-4927-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30070000
_cell_length_b 5.27169000
_cell_length_c 4.36295000
_cell_angle_alpha 70.66951000
_cell_angle_beta 59.65922000
_cell_angle_gamma 82.11452000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 61.78305619
_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 0.81084948 0.88615230 0.02015129 1
C C1 1 0.75178960 0.63526287 0.31005609 1
C C2 1 0.12084305 0.40354924 0.27158238 1
C C3 1 0.78339811 0.14683760 0.45586425 1
C C4 1 0.84354885 1.14615955 0.06732207 1
C C5 1 0.82406433 0.88491524 0.70841677 1
C C6 1 0.34383004 0.26487200 0.75199120 1
C C7 1 0.82229904 0.63130002 0.63853741 1
C C8 1 0.53024007 0.36780703 -0.06143298 1
C C9 1 0.28210373 0.49679834 0.48673464 1
| -154.086005 |
4,261 | C-136204-3885-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48063000
_cell_length_b 3.68969000
_cell_length_c 4.89774000
_cell_angle_alpha 92.91460000
_cell_angle_beta 59.55182000
_cell_angle_gamma 70.35884000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.02041107
_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 0.46551976 0.71860851 0.87508713 1
C C1 1 0.01902207 -0.12506249 0.74391544 1
C C2 1 -0.15326276 0.36061629 0.17287968 1
C C3 1 0.96975182 -0.03658282 0.24851676 1
C C4 1 0.58931406 0.32063667 0.95018901 1
C C5 1 0.41789695 0.80604675 0.37932969 1
| -154.319384 |
9,180 | C-56514-5809-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.03734000
_cell_length_b 4.49452000
_cell_length_c 6.48423000
_cell_angle_alpha 79.56368000
_cell_angle_beta 88.23843000
_cell_angle_gamma 87.76766000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 86.96300885
_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 0.37267878 0.44645094 0.33523108 1
C C1 1 -0.15372644 0.23877474 0.85835973 1
C C2 1 0.20756743 0.90637913 0.50980706 1
C C3 1 1.20866108 0.23334560 0.50745458 1
C C4 1 0.72564358 0.44389508 0.98259083 1
C C5 1 0.03830721 0.69253818 0.67479550 1
C C6 1 0.54192772 -0.01206366 0.16708766 1
C C7 1 0.37435217 0.77360761 0.33233450 1
C C8 1 0.83588762 0.72117940 0.87554422 1
C C9 1 0.53460094 0.30817776 0.17124057 1
C C10 1 0.74293051 -0.03852702 -0.03435126 1
C C11 1 1.04224689 0.37297874 0.67050603 1
| -154.193665 |
4,319 | C-126163-8054-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21759000
_cell_length_b 3.42314000
_cell_length_c 6.56681000
_cell_angle_alpha 120.46767000
_cell_angle_beta 81.48833000
_cell_angle_gamma 107.29253000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 78.02216039
_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 0.60384434 0.19647805 0.66788889 1
C C1 1 0.69780596 0.01058751 0.95525422 1
C C2 1 -0.16145937 0.88003804 0.26597289 1
C C3 1 0.43934292 0.30978467 0.38501092 1
C C4 1 -0.02880966 0.96282547 0.06284954 1
C C5 1 0.02173889 0.75121411 0.56015959 1
C C6 1 0.87649384 0.14781635 0.77542364 1
C C7 1 0.43571472 0.60947398 0.79935297 1
C C8 1 0.55322407 0.40774514 0.17069488 1
C C9 1 0.35436127 0.71954079 0.60722192 1
C C10 1 0.13904932 0.54896377 0.93084196 1
C C11 1 0.73660211 0.27901729 0.46454623 1
C C12 1 0.22059322 0.43976072 0.12368191 1
C C13 1 1.13584627 0.85027062 0.34615834 1
| -154.285504 |
9,336 | C-113054-2060-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44289000
_cell_length_b 4.19804000
_cell_length_c 6.28497000
_cell_angle_alpha 73.61665000
_cell_angle_beta 78.76846000
_cell_angle_gamma 90.01172000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 60.54891973
_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 0.79224319 0.84623437 0.86276461 1
C C1 1 -0.01430058 0.64258741 0.45743432 1
C C2 1 1.01014829 0.31356917 0.41898853 1
C C3 1 0.69063185 0.58569046 1.06454409 1
C C4 1 0.46426060 0.12206893 0.50994695 1
C C5 1 0.13646638 0.47123198 0.17044347 1
C C6 1 0.34508375 0.96195100 0.75772136 1
C C7 1 0.47932891 0.79409437 0.46980887 1
| -154.194195 |
9,516 | C-13669-3058-57 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.54887000
_cell_length_b 3.65093000
_cell_length_c 5.54528000
_cell_angle_alpha 94.61639000
_cell_angle_beta 103.33220000
_cell_angle_gamma 69.60305000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.06395724
_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 0.47500877 0.72532940 0.36871412 1
C C1 1 0.77940428 0.53588525 0.78980681 1
C C2 1 0.59003297 0.91356694 0.78969581 1
C C3 1 0.99318463 0.35557828 1.03786484 1
C C4 1 0.74614582 0.35567313 0.54089754 1
C C5 1 0.62322082 0.09425940 0.03777932 1
C C6 1 0.37623828 0.09402043 0.54090826 1
C C7 1 -0.10507848 0.72531628 0.20945699 1
| -154.183909 |
6,298 | C-76040-1153-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47349000
_cell_length_b 3.28791000
_cell_length_c 6.91889000
_cell_angle_alpha 118.40058000
_cell_angle_beta 100.31090000
_cell_angle_gamma 67.85714000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.84585642
_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 0.11044628 0.62671657 0.80034130 1
C C1 1 0.61020077 0.12689811 0.30032453 1
C C2 1 1.29017693 0.08579554 0.62021075 1
C C3 1 0.79012581 0.58592929 0.12015176 1
C C4 1 0.61029595 0.76598763 -0.06050795 1
C C5 1 0.92979158 0.80715694 0.62017238 1
C C6 1 0.42973705 0.30727019 0.12009122 1
C C7 1 0.11013453 0.26599793 0.43950960 1
| -154.330563 |
9,663 | C-28213-8691-15 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48688000
_cell_length_b 3.95359000
_cell_length_c 6.43946000
_cell_angle_alpha 76.58651000
_cell_angle_beta 112.76179000
_cell_angle_gamma 89.99980000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 56.50503378
_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 0.45109343 0.73598860 0.34963019 1
C C1 1 -0.04316213 0.97037315 0.35550954 1
C C2 1 0.50971708 0.26352320 0.90907136 1
C C3 1 0.24942928 0.54794905 0.14824300 1
C C4 1 0.75598160 0.30872226 0.15437315 1
C C5 1 0.15515820 0.16001224 0.55580604 1
C C6 1 0.89490815 0.44540098 0.79525041 1
C C7 1 1.41757340 0.95582849 0.81799834 1
C C8 1 0.64904845 0.39905276 0.54976911 1
C C9 1 -0.01341296 0.75311787 0.88707135 1
| -154.325605 |
973 | C-142744-7221-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47579000
_cell_length_b 4.26052000
_cell_length_c 6.95066000
_cell_angle_alpha 101.58153000
_cell_angle_beta 79.73749000
_cell_angle_gamma 90.00588000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 70.62645903
_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 0.85637936 0.83895304 0.18900266 1
C C1 1 0.57539808 0.86464357 0.75089082 1
C C2 1 0.17254866 0.43988722 0.55969436 1
C C3 1 1.05734740 0.41948961 0.78651029 1
C C4 1 0.39938487 0.65799669 0.10061608 1
C C5 1 0.37862373 0.32491384 0.14127981 1
C C6 1 0.08535131 0.05393648 0.73151802 1
C C7 1 0.51489853 0.60016032 0.87326097 1
C C8 1 0.19930517 0.07428726 0.50474974 1
C C9 1 0.68283498 0.62890628 0.53954092 1
C C10 1 0.74227867 -0.10584910 0.41714563 1
C C11 1 -0.12557466 0.17321302 0.15044251 1
| -154.264038 |
8,093 | C-126149-3704-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.55283000
_cell_length_b 2.43820000
_cell_length_c 7.35260000
_cell_angle_alpha 90.06046000
_cell_angle_beta 119.99194000
_cell_angle_gamma 90.64972000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.63300919
_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 0.52516996 0.25623793 0.17186891 1
C C1 1 0.18649224 0.25870481 0.94210566 1
C C2 1 0.17344534 0.24808561 0.27523641 1
C C3 1 0.68123868 0.74770039 0.61280297 1
C C4 1 0.51396484 0.24519958 0.50497232 1
C C5 1 1.02124074 0.75614188 0.83431532 1
| -154.072524 |
3,972 | C-130559-5355-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44174000
_cell_length_b 4.53540000
_cell_length_c 5.41708000
_cell_angle_alpha 103.06828000
_cell_angle_beta 89.99605000
_cell_angle_gamma 90.03083000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.43651672
_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 0.31902271 0.84508392 0.52684190 1
C C1 1 -0.18006447 0.50773993 0.95571895 1
C C2 1 0.81900165 0.87186176 0.94279505 1
C C3 1 0.31943668 0.33592466 0.55297769 1
C C4 1 0.31872337 1.05496703 0.36832164 1
C C5 1 0.31977097 0.33964505 0.82114649 1
C C6 1 0.31990169 0.54128555 0.38859582 1
C C7 1 0.81887229 0.07908113 0.20415930 1
C C8 1 -0.18022594 0.43613760 0.21589282 1
C C9 1 0.31911614 0.96711407 0.80629093 1
| -154.075547 |
5,163 | C-113062-5806-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.43812000
_cell_length_b 4.17883000
_cell_length_c 3.43634000
_cell_angle_alpha 79.79224000
_cell_angle_beta 93.18599000
_cell_angle_gamma 79.68857000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 47.61008563
_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 0.91021653 0.20654596 0.21140218 1
C C1 1 0.71171733 0.63925898 0.53589098 1
C C2 1 0.60371758 0.43847065 0.90757818 1
C C3 1 0.61874111 0.01702940 0.44042464 1
C C4 1 1.08329891 0.43840981 0.42714329 1
C C5 1 0.28103022 1.00598700 0.10278808 1
C C6 1 0.38925576 0.20652161 0.73275226 1
C C7 1 0.37445297 0.62810527 0.19887240 1
| -154.182843 |
33 | C-145298-5550-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55737000
_cell_length_b 5.76631000
_cell_length_c 4.66171000
_cell_angle_alpha 51.99670000
_cell_angle_beta 59.58353000
_cell_angle_gamma 51.57576000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.83575495
_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 0.11361837 0.83806962 0.05970050 1
C C1 1 0.11404543 0.31572535 0.55480749 1
C C2 1 0.11096384 0.12986509 0.93103304 1
C C3 1 0.11528148 0.15474334 0.42682171 1
C C4 1 0.11137192 0.60745378 0.42602074 1
C C5 1 0.11219119 0.84428704 0.74350246 1
C C6 1 1.11323483 0.60131988 0.74188365 1
C C7 1 1.10996974 0.29108470 0.05863081 1
| -154.174983 |
2,115 | C-9599-351-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48356000
_cell_length_b 3.82495000
_cell_length_c 5.22926000
_cell_angle_alpha 81.00251000
_cell_angle_beta 89.97135000
_cell_angle_gamma 108.95556000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.33333727
_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 0.80286783 0.06897175 0.84578135 1
C C1 1 0.97699171 0.41834866 1.00853371 1
C C2 1 0.35154489 0.16459360 0.68040735 1
C C3 1 1.31316134 0.09067164 0.40135153 1
C C4 1 -0.07448226 0.31373947 0.29535171 1
C C5 1 0.58915070 0.64057199 0.90173676 1
C C6 1 0.10126415 0.66339426 0.45750237 1
C C7 1 0.55285214 0.56813013 0.62222851 1
| -154.222101 |
9,517 | C-172939-8068-21 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48106000
_cell_length_b 4.48233000
_cell_length_c 4.58178000
_cell_angle_alpha 72.54780000
_cell_angle_beta 122.81154000
_cell_angle_gamma 123.59846000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.66997170
_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 0.39568634 0.73139805 0.13923515 1
C C1 1 0.13300053 -0.03122292 0.13917394 1
C C2 1 0.69495277 0.23522930 0.43458953 1
C C3 1 0.72393582 0.96872280 0.72998123 1
C C4 1 0.42466940 0.46489156 0.43462685 1
C C5 1 0.98662164 0.73134377 0.73004244 1
| -154.159376 |
138 | C-145366-5636-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52709000
_cell_length_b 4.79296000
_cell_length_c 4.70918000
_cell_angle_alpha 77.14416000
_cell_angle_beta 101.75308000
_cell_angle_gamma 63.29089000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.55726104
_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 0.09854710 -0.01814917 0.75757258 1
C C1 1 0.05580415 0.74305369 0.28908611 1
C C2 1 0.11082870 0.25406911 0.27852053 1
C C3 1 0.97570711 0.44694995 -0.04326550 1
C C4 1 0.80464296 0.52740462 0.40807976 1
C C5 1 0.81760336 0.80002021 0.93085311 1
C C6 1 0.94046655 0.33506281 0.73018998 1
C C7 1 0.86038387 1.03814478 0.39848023 1
| -154.071436 |
3,274 | C-172924-5707-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51183000
_cell_length_b 4.11250000
_cell_length_c 4.18832000
_cell_angle_alpha 60.61480000
_cell_angle_beta 107.56113000
_cell_angle_gamma 89.96901000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.36195781
_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 0.64230471 0.23727857 0.93062917 1
C C1 1 0.83602607 0.52421469 0.31857532 1
C C2 1 0.44897429 0.91263369 0.54213875 1
C C3 1 0.64229805 0.56813813 0.93020477 1
C C4 1 -0.16389985 0.89295381 0.31870828 1
C C5 1 0.44910284 0.28117510 0.54234411 1
| -154.231715 |
2,227 | C-13911-8164-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48121000
_cell_length_b 3.68961000
_cell_length_c 4.84472000
_cell_angle_alpha 57.34267000
_cell_angle_beta 75.15624000
_cell_angle_gamma 70.33262000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00621946
_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 0.54117664 0.98126786 0.48554506 1
C C1 1 0.31712154 0.22025380 0.69213609 1
C C2 1 0.79809613 0.03709065 0.91398832 1
C C3 1 0.11963258 0.69361585 0.61655537 1
C C4 1 0.57551686 0.27621906 0.12026837 1
C C5 1 -0.00257935 0.56413446 0.98909408 1
| -154.311358 |
4,353 | C-102860-4456-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20060000
_cell_length_b 2.46593000
_cell_length_c 7.40422000
_cell_angle_alpha 80.44415000
_cell_angle_beta 85.91154000
_cell_angle_gamma 67.38458000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 53.19373058
_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 -0.03634106 0.15649495 0.95300645 1
C C1 1 0.96189196 0.80466157 0.66057220 1
C C2 1 0.95638804 1.00411197 0.26832964 1
C C3 1 0.59731643 0.26150479 0.11067180 1
C C4 1 0.95559808 0.45060084 0.37601319 1
C C5 1 0.32169634 0.89833400 0.11051889 1
C C6 1 -0.03547465 0.71028194 0.84533615 1
C C7 1 -0.04109485 0.35679712 0.56076348 1
| -154.268251 |
9,784 | C-176633-3584-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42600000
_cell_length_b 5.90085000
_cell_length_c 4.22623000
_cell_angle_alpha 45.72396000
_cell_angle_beta 89.98482000
_cell_angle_gamma 89.96774000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.31738064
_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 0.27900806 0.63877767 0.76511176 1
C C1 1 0.27886496 0.29004964 0.05371583 1
C C2 1 0.77897144 0.14398979 0.34568626 1
C C3 1 0.27889818 0.22962922 0.76558719 1
C C4 1 0.77880845 0.79530744 0.63382915 1
C C5 1 0.77899331 0.20451424 0.63409461 1
| -154.316776 |
8,471 | C-73639-7493-61 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45462000
_cell_length_b 3.35193000
_cell_length_c 7.54715000
_cell_angle_alpha 74.21532000
_cell_angle_beta 89.92018000
_cell_angle_gamma 68.42958000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.23098060
_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 0.86155102 1.09277400 0.09369628 1
C C1 1 0.72528323 0.36298473 0.24095971 1
C C2 1 0.48213954 0.85002421 0.18358276 1
C C3 1 0.17452808 0.46633816 0.80771649 1
C C4 1 0.46762853 0.87792044 0.52890930 1
C C5 1 0.34818724 1.11878695 0.33185002 1
C C6 1 1.03582387 -0.25589410 0.61890603 1
C C7 1 0.74179739 0.33270542 0.89728300 1
| -154.192331 |
2,493 | C-9636-6240-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01352000
_cell_length_b 4.85398000
_cell_length_c 4.20745000
_cell_angle_alpha 89.99867000
_cell_angle_beta 114.63075000
_cell_angle_gamma 90.09774000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 55.94485525
_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 -0.04033408 1.00062602 -0.02572022 1
C C1 1 0.95347618 0.50062088 0.30556576 1
C C2 1 0.95366359 0.25061603 0.80561756 1
C C3 1 -0.04033741 0.25062218 0.47427857 1
C C4 1 0.95362707 1.00062476 0.30560603 1
C C5 1 0.95951479 0.50062475 0.97422983 1
C C6 1 0.95349022 0.75062608 0.80556473 1
C C7 1 0.95949013 0.75063118 0.47422613 1
| -154.421624 |
5,409 | C-176648-5645-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45985000
_cell_length_b 3.39941000
_cell_length_c 5.32525000
_cell_angle_alpha 96.78460000
_cell_angle_beta 90.00541000
_cell_angle_gamma 111.13967000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.19856264
_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 0.68076430 0.30971926 0.57002783 1
C C1 1 0.81404257 0.58665831 0.09966601 1
C C2 1 0.85114146 0.65111770 0.37600750 1
C C3 1 0.27915140 0.50785382 0.69686568 1
C C4 1 0.45087684 0.85030428 0.50269620 1
C C5 1 0.30457923 0.56764414 0.97317508 1
| -154.153864 |
2,073 | C-72722-2079-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04191000
_cell_length_b 2.42906000
_cell_length_c 6.19510000
_cell_angle_alpha 91.97094000
_cell_angle_beta 99.77101000
_cell_angle_gamma 109.38428000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.35114599
_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 0.67301985 0.41681474 0.85301420 1
C C1 1 1.22554912 0.19357969 0.40897831 1
C C2 1 0.33940752 0.75003940 0.51972810 1
C C3 1 0.55840781 0.86005468 0.74237182 1
C C4 1 0.00721950 0.08383366 0.18624434 1
C C5 1 0.89273590 0.52710684 1.07556143 1
| -154.441614 |
7,329 | C-13897-9657-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28315000
_cell_length_b 3.30558000
_cell_length_c 5.62590000
_cell_angle_alpha 89.39472000
_cell_angle_beta 89.17192000
_cell_angle_gamma 84.08133000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.72194467
_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 1.05221023 0.37910855 0.84660688 1
C C1 1 0.77166596 0.10315168 0.71463875 1
C C2 1 0.43231871 0.46965957 0.71747471 1
C C3 1 0.46433058 0.65406697 0.47644580 1
C C4 1 -0.21183499 0.11424781 0.23131411 1
C C5 1 0.45095623 0.47972964 0.23429899 1
C C6 1 0.75970708 -0.07097123 0.47150566 1
C C7 1 0.16681713 0.20732125 0.10083287 1
C C8 1 0.52526962 0.84945268 0.09128314 1
C C9 1 0.69671466 0.73404959 0.85761128 1
| -154.079253 |
7,954 | C-13937-9715-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42689000
_cell_length_b 4.87352000
_cell_length_c 4.22427000
_cell_angle_alpha 88.72058000
_cell_angle_beta 89.99080000
_cell_angle_gamma 60.10598000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.30069725
_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 0.54466174 1.00771205 0.58022810 1
C C1 1 0.48321716 0.06840714 0.23162717 1
C C2 1 0.06983133 0.98277645 0.73661339 1
C C3 1 0.47690061 0.57363596 0.14686195 1
C C4 1 1.12906851 -0.07741435 1.08575610 1
C C5 1 0.13348856 0.41731564 0.17236449 1
| -154.316174 |
1,240 | C-136241-2721-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43327000
_cell_length_b 5.79442000
_cell_length_c 7.71050000
_cell_angle_alpha 79.13047000
_cell_angle_beta 99.04938000
_cell_angle_gamma 90.04317000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 105.38721837
_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 -0.38109927 0.42303498 0.49204780 1
C C1 1 0.45557916 0.10360189 0.16595141 1
C C2 1 0.95421406 0.60630539 0.15242960 1
C C3 1 -0.41798691 0.67850044 0.41371658 1
C C4 1 0.77210693 0.14659688 0.79460369 1
C C5 1 0.22346633 0.10576393 0.69900557 1
C C6 1 0.83268045 0.28170746 0.91621181 1
C C7 1 0.98027247 0.99795520 0.21666481 1
C C8 1 0.65696667 0.81302787 0.56435545 1
C C9 1 0.38128293 0.31794473 1.01371759 1
C C10 1 0.18560447 0.89000916 0.61991829 1
C C11 1 1.02583908 0.74534687 0.29947706 1
C C12 1 0.42713488 0.52828660 0.09800788 1
C C13 1 0.14340884 0.31709980 0.54278587 1
| -154.154121 |
5,753 | C-193920-1389-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42619000
_cell_length_b 4.22236000
_cell_length_c 4.87426000
_cell_angle_alpha 90.87603000
_cell_angle_beta 119.91356000
_cell_angle_gamma 90.01775000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.27410041
_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 0.56792249 0.95584145 0.43124817 1
C C1 1 -0.02306763 0.36402576 0.84051008 1
C C2 1 0.50296354 0.52056960 0.86576088 1
C C3 1 0.91617481 0.01589897 0.77948330 1
C C4 1 0.56297541 0.86901714 0.92655887 1
C C5 1 0.91106009 0.93063038 0.27467591 1
| -154.315205 |
3,909 | C-57120-3338-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51071000
_cell_length_b 4.19564000
_cell_length_c 6.66070000
_cell_angle_alpha 90.06261000
_cell_angle_beta 100.88750000
_cell_angle_gamma 89.97368000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.90104869
_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 -0.08883064 0.63611491 0.23317952 1
C C1 1 0.01753738 0.50444804 0.44514282 1
C C2 1 1.24639619 1.00274032 0.90562572 1
C C3 1 0.69634962 0.13149167 0.80397856 1
C C4 1 0.35792286 0.13134402 0.12479992 1
C C5 1 0.24669436 0.63473324 0.90619914 1
C C6 1 0.01815316 0.13448573 0.44466313 1
C C7 1 0.58071176 0.13201015 0.57092732 1
C C8 1 0.69635623 0.50555726 0.80449486 1
C C9 1 0.91132896 1.00193642 0.23279238 1
C C10 1 0.58008789 0.50658961 0.57145274 1
C C11 1 0.35791664 0.50632613 0.12520129 1
| -154.1884 |
8,741 | C-136338-8555-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47027000
_cell_length_b 8.99608000
_cell_length_c 7.87474000
_cell_angle_alpha 55.81855000
_cell_angle_beta 73.43566000
_cell_angle_gamma 71.69899000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C24
_cell_volume 136.12500979
_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 -0.42588451 0.22148283 0.68820064 1
C C1 1 0.15118989 0.43549007 0.37448350 1
C C2 1 0.13352634 0.31611040 -0.00017987 1
C C3 1 0.43045886 0.71602827 0.29976143 1
C C4 1 0.45341222 1.07234101 -0.08652136 1
C C5 1 0.92521637 0.78080498 0.60336911 1
C C6 1 1.22733598 0.62892501 0.54717846 1
C C7 1 0.62191799 0.42695694 -0.11726558 1
C C8 1 0.77150306 0.00867351 0.21298551 1
C C9 1 -0.11833202 0.08681769 0.60991202 1
C C10 1 0.48059113 0.10665772 0.48123716 1
C C11 1 0.62111800 0.55277495 0.27065570 1
C C12 1 0.06791472 0.90574633 0.79147288 1
C C13 1 0.02074076 0.94463563 0.95712434 1
C C14 1 -0.05070755 0.34441682 0.17715742 1
C C15 1 0.37533580 0.58577176 -0.06524690 1
C C16 1 0.73059933 0.96626323 0.42456045 1
C C17 1 0.91630781 0.83399775 0.19838146 1
C C18 1 0.27201667 0.11426448 0.08119961 1
C C19 1 0.31804383 0.76331347 0.73999005 1
C C20 1 0.39413407 0.29507163 0.30505000 1
C C21 1 0.80183866 0.55060440 0.06547874 1
C C22 1 1.01151718 0.34512432 0.60769699 1
C C23 1 0.77602754 0.50467491 0.64809634 1
| -154.210155 |
5,047 | C-9628-9669-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67111000
_cell_length_b 4.22781000
_cell_length_c 3.49235000
_cell_angle_alpha 52.65930000
_cell_angle_beta 76.86340000
_cell_angle_gamma 63.13003000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 48.80620725
_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 0.06749259 0.26605953 0.93320826 1
C C1 1 0.61783243 0.79950902 0.32057369 1
C C2 1 0.33247850 0.50606661 0.18837600 1
C C3 1 0.83276179 0.34861388 0.68800845 1
C C4 1 0.78208253 0.97728561 0.80050231 1
C C5 1 0.11770247 0.63747965 0.82105546 1
C C6 1 0.28204490 0.81528921 0.30090125 1
C C7 1 0.56767080 0.10879668 0.43280117 1
| -154.105998 |
8,097 | C-170338-1408-41 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30216000
_cell_length_b 4.09958000
_cell_length_c 4.03819000
_cell_angle_alpha 72.62766000
_cell_angle_beta 121.76281000
_cell_angle_gamma 99.32863000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.35865809
_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 0.60541421 0.01643717 0.23052555 1
C C1 1 0.33587508 0.70579392 0.26618008 1
C C2 1 0.54875792 0.51491498 0.66981014 1
C C3 1 0.95469476 0.70696620 0.88363662 1
C C4 1 0.39221149 0.20752255 0.82700339 1
C C5 1 0.98621184 0.01541388 0.61323571 1
| -154.12087 |
8,067 | C-172928-8845-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13673000
_cell_length_b 2.43226000
_cell_length_c 6.39752000
_cell_angle_alpha 79.30257000
_cell_angle_beta 98.69587000
_cell_angle_gamma 116.89670000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.64641221
_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 0.02560205 0.20011237 0.11673758 1
C C1 1 0.02609201 0.53362934 0.45040489 1
C C2 1 1.02814776 0.42438642 0.67260816 1
C C3 1 0.02725387 0.09084405 0.33889884 1
C C4 1 1.02777258 0.75748124 1.00609094 1
C C5 1 1.02627714 0.86682646 0.78392639 1
| -154.417198 |
7,240 | C-34602-3867-19 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45856000
_cell_length_b 5.28896000
_cell_length_c 6.24387000
_cell_angle_alpha 66.98233000
_cell_angle_beta 78.62291000
_cell_angle_gamma 89.98100000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 72.99218749
_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 0.38820317 0.81100161 0.18414523 1
C C1 1 0.88230489 0.24079197 0.19374902 1
C C2 1 0.27813089 0.50369880 0.40654430 1
C C3 1 0.72925914 0.82894896 0.50025831 1
C C4 1 -0.13980356 0.93579977 0.24119160 1
C C5 1 1.01778770 0.37731724 0.92854087 1
C C6 1 0.51788837 0.86936273 0.92849589 1
C C7 1 0.31113699 0.26018400 0.33522579 1
C C8 1 0.70733093 0.52410748 0.54735907 1
C C9 1 0.57447221 0.38822584 0.81245971 1
C C10 1 0.07463453 0.89713522 0.81216445 1
C C11 1 1.20155734 -0.04658111 0.55699976 1
| -154.244796 |
1,105 | C-40130-2113-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34615000
_cell_length_b 4.80176000
_cell_length_c 4.52197000
_cell_angle_alpha 95.34802000
_cell_angle_beta 87.84953000
_cell_angle_gamma 97.35482000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 71.72078010
_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 0.63636659 0.00127963 0.58443749 1
C C1 1 0.00731838 0.34899503 0.21856954 1
C C2 1 0.88165501 0.60474682 0.34448492 1
C C3 1 0.39038250 0.09336579 0.82199685 1
C C4 1 0.25156028 0.84803191 0.95830575 1
C C5 1 0.38898809 0.60146056 0.82389810 1
C C6 1 0.63501530 0.69534780 0.58192967 1
C C7 1 1.01798484 0.85031031 0.20760373 1
C C8 1 -0.11747037 0.09695901 0.34302360 1
C C9 1 0.26554877 0.34956886 -0.05142825 1
| -154.175955 |
7,359 | C-106863-9358-47 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50584000
_cell_length_b 4.29120000
_cell_length_c 7.11283000
_cell_angle_alpha 111.73270000
_cell_angle_beta 105.71447000
_cell_angle_gamma 86.94122000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 68.29847977
_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 -0.05428137 0.35856192 0.40375753 1
C C1 1 0.76703844 -0.02012925 0.53876603 1
C C2 1 0.85046205 0.21279278 0.77662943 1
C C3 1 0.54616010 0.57929746 0.10594862 1
C C4 1 -0.01254712 0.65036371 0.55712737 1
C C5 1 0.38519552 0.42984461 0.85398111 1
C C6 1 0.05108251 1.07116657 0.09540381 1
C C7 1 0.62255354 0.28566099 0.18028875 1
C C8 1 0.08297488 0.79654866 0.18383311 1
C C9 1 0.30794966 0.72390429 0.78059212 1
C C10 1 0.17052242 0.02940020 0.42252455 1
C C11 1 0.87924828 0.93837777 0.86545177 1
| -154.194832 |
7,903 | C-47668-7767-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47300000
_cell_length_b 5.23693000
_cell_length_c 4.11576000
_cell_angle_alpha 111.03523000
_cell_angle_beta 89.99738000
_cell_angle_gamma 90.01765000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.75079701
_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 0.34750592 0.76204930 0.42600460 1
C C1 1 0.34735795 0.94367561 0.18512937 1
C C2 1 0.34742177 0.26249302 0.42623458 1
C C3 1 0.84740849 0.31578472 0.63349453 1
C C4 1 0.84729429 0.89030004 0.97763408 1
C C5 1 0.34708253 0.44345972 0.18488227 1
C C6 1 0.84750684 0.81582746 0.63350540 1
C C7 1 -0.15296670 0.38974873 -0.02254953 1
| -154.177816 |
1,619 | C-72714-6010-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51268000
_cell_length_b 4.19499000
_cell_length_c 4.61429000
_cell_angle_alpha 66.70393000
_cell_angle_beta 93.46792000
_cell_angle_gamma 79.18174000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 60.65351067
_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 0.81438358 -0.04220312 0.45101918 1
C C1 1 0.55742714 0.76804570 0.69128057 1
C C2 1 0.23982869 0.39507761 0.44592520 1
C C3 1 0.61704377 0.68041522 1.05903515 1
C C4 1 0.95092288 0.75391141 0.23427696 1
C C5 1 0.52646086 0.31658561 0.23913543 1
C C6 1 0.42688413 0.45415955 0.70225560 1
C C7 1 0.14818744 1.03122370 0.62669987 1
C C8 1 0.33793528 0.25779091 0.98294240 1
C C9 1 0.20707292 0.94392651 0.99402813 1
| -154.139339 |
1,394 | C-145389-5770-52 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01015000
_cell_length_b 4.03389000
_cell_length_c 5.65479000
_cell_angle_alpha 92.44836000
_cell_angle_beta 104.82540000
_cell_angle_gamma 62.61074000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.71186519
_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 0.86005266 0.83409240 0.74163453 1
C C1 1 0.57091742 0.52347536 1.12937052 1
C C2 1 1.10640329 0.83560376 -0.01950069 1
C C3 1 -0.05381421 0.15079582 0.12929369 1
C C4 1 1.02242749 0.52060128 0.59171636 1
C C5 1 0.39556336 0.14704777 0.59193057 1
C C6 1 0.66382542 0.65398867 0.36014969 1
C C7 1 0.30543307 0.01877295 0.36003331 1
| -154.078551 |
1,704 | C-189707-2485-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50412000
_cell_length_b 3.63404000
_cell_length_c 3.89251000
_cell_angle_alpha 65.22111000
_cell_angle_beta 98.68970000
_cell_angle_gamma 86.94495000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.11032740
_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 0.97156117 0.32082836 0.01667999 1
C C1 1 0.78029913 0.72681620 0.82449413 1
C C2 1 0.77931602 1.10656550 -0.17501296 1
C C3 1 0.47092888 0.37983216 0.51765687 1
C C4 1 0.47073603 0.76032134 0.51680637 1
C C5 1 0.27898337 0.16607314 0.32508960 1
| -154.142631 |
258 | C-157679-4918-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47827000
_cell_length_b 2.47792000
_cell_length_c 6.31140000
_cell_angle_alpha 101.31223000
_cell_angle_beta 90.00663000
_cell_angle_gamma 59.96426000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.68120326
_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 1.19200793 0.60709846 0.45617269 1
C C1 1 0.41284560 0.16381734 0.79100936 1
C C2 1 0.10788419 0.77471577 0.70727861 1
C C3 1 0.55300616 0.88458951 0.37226030 1
C C4 1 0.32883644 0.32901432 1.03842068 1
C C5 1 0.63470108 0.71783940 0.12140796 1
| -154.527503 |
7,880 | C-34613-7933-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44308000
_cell_length_b 4.19647000
_cell_length_c 6.36076000
_cell_angle_alpha 72.75905000
_cell_angle_beta 101.14386000
_cell_angle_gamma 90.10420000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 61.00081212
_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 0.79487362 0.65093803 0.62507253 1
C C1 1 -0.05819258 0.81607265 0.91362133 1
C C2 1 0.28970716 0.49849847 0.61502061 1
C C3 1 0.59529695 0.44316389 0.22242400 1
C C4 1 1.14750558 0.32918184 0.32814879 1
C C5 1 0.81573416 -0.02282245 0.66634346 1
C C6 1 0.49389142 0.70044957 0.01831329 1
C C7 1 0.27169869 0.17099111 0.57624410 1
| -154.208511 |
8,837 | C-107752-5318-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43126000
_cell_length_b 3.06374000
_cell_length_c 8.14553000
_cell_angle_alpha 89.03921000
_cell_angle_beta 104.33325000
_cell_angle_gamma 97.99932000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.20347238
_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 0.88109854 0.45922632 0.37612154 1
C C1 1 0.46495440 0.54053715 0.46014873 1
C C2 1 0.38099451 0.95554970 0.87676308 1
C C3 1 0.63061974 0.70072610 0.62735258 1
C C4 1 0.13148438 0.21498739 0.12544210 1
C C5 1 0.71537565 0.29752556 0.20921595 1
C C6 1 0.21433448 0.78256349 0.71115108 1
C C7 1 0.96491749 0.04092269 0.96006874 1
| -154.457338 |
8,588 | C-106871-7686-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.26798000
_cell_length_b 4.51369000
_cell_length_c 4.73520000
_cell_angle_alpha 88.08007000
_cell_angle_beta 60.12060000
_cell_angle_gamma 75.32395000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.22796581
_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 0.70712702 0.04913484 0.54790370 1
C C1 1 0.78880770 0.79811453 0.71417312 1
C C2 1 0.95712133 0.29913674 1.04788859 1
C C3 1 0.03880236 0.04814423 0.21416448 1
C C4 1 0.28878177 0.29813800 0.71417386 1
C C5 1 0.20713815 0.54911688 0.54788796 1
C C6 1 0.53879388 0.54811832 0.21417646 1
C C7 1 0.45712809 0.79911586 0.04790523 1
| -154.467636 |
1,290 | C-136383-1442-2 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44490000
_cell_length_b 3.44193000
_cell_length_c 11.24453000
_cell_angle_alpha 82.47208000
_cell_angle_beta 96.96345000
_cell_angle_gamma 82.92727000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C20
_cell_volume 129.88775811
_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 0.13670079 0.99947752 0.76983046 1
C C1 1 0.91315578 0.24311945 0.11275062 1
C C2 1 0.36809481 0.77445139 0.87864899 1
C C3 1 0.69511671 0.44819968 0.88063977 1
C C4 1 0.92544879 1.22618199 -0.01464981 1
C C5 1 0.19290207 -0.03950546 0.18075400 1
C C6 1 0.27524758 0.85999424 0.66852763 1
C C7 1 0.67633023 0.46988640 0.30238992 1
C C8 1 0.31938047 0.30235158 0.46252102 1
C C9 1 0.54920495 0.11329123 0.37830795 1
C C10 1 0.67569464 0.47749582 0.16920469 1
C C11 1 0.53936840 0.59721500 0.53259869 1
C C12 1 0.18970986 0.94849611 0.53434797 1
C C13 1 0.32661913 -0.18172206 0.30762783 1
C C14 1 0.39233630 0.76148699 0.10384044 1
C C15 1 0.83800984 -0.18052594 0.46268728 1
C C16 1 0.81715099 1.31695152 0.77055231 1
C C17 1 0.58317721 0.55067540 0.66827669 1
C C18 1 1.02937484 0.59304385 0.37826934 1
C C19 1 0.24400119 0.90895401 0.98171030 1
| -154.110671 |
6,800 | C-157670-1845-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47105000
_cell_length_b 3.76644000
_cell_length_c 8.03759000
_cell_angle_alpha 65.19231000
_cell_angle_beta 81.14335000
_cell_angle_gamma 90.00138000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 66.91928502
_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 0.41861734 0.13805968 0.50391454 1
C C1 1 0.86224279 0.01850435 0.61830600 1
C C2 1 0.13813291 0.31844467 0.06040678 1
C C3 1 0.79289510 0.20761266 0.75434604 1
C C4 1 0.06120990 0.47910504 0.21309415 1
C C5 1 1.13693786 -0.08413859 0.06294395 1
C C6 1 0.69586217 0.52660586 -0.05222983 1
C C7 1 0.69523745 0.91202621 -0.05043416 1
C C8 1 0.50706565 0.36307221 0.32265256 1
C C9 1 0.79388813 0.58262132 0.75162448 1
| -154.079728 |
2,728 | C-184068-6075-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12039000
_cell_length_b 4.17053000
_cell_length_c 5.52484000
_cell_angle_alpha 88.38544000
_cell_angle_beta 92.16948000
_cell_angle_gamma 98.94737000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.95461060
_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 0.41719088 0.44637882 0.46736669 1
C C1 1 0.65990813 0.69294219 0.60380150 1
C C2 1 0.41725621 0.44693838 0.98374809 1
C C3 1 0.65933999 0.69338143 0.84714550 1
C C4 1 1.16173145 0.19231866 0.59324427 1
C C5 1 0.16252181 0.19201463 0.85901084 1
C C6 1 0.90576328 -0.06187532 0.98378482 1
C C7 1 -0.09399103 0.93822308 0.46741196 1
C C8 1 0.50590637 0.53959536 0.22575545 1
C C9 1 0.81855800 0.84431457 0.22589418 1
| -154.177701 |
9,263 | C-92116-7433-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44428000
_cell_length_b 4.18454000
_cell_length_c 7.74182000
_cell_angle_alpha 65.34501000
_cell_angle_beta 108.38190000
_cell_angle_gamma 89.99820000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.49450967
_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 0.71618058 0.94125646 0.95761868 1
C C1 1 0.17708774 0.46702473 0.91649253 1
C C2 1 0.60463402 0.52604728 0.34507398 1
C C3 1 0.55896252 0.25051844 0.30077782 1
C C4 1 0.20237708 0.79709442 0.94326783 1
C C5 1 0.77116595 0.24266066 0.01076526 1
C C6 1 0.35705612 0.61985405 0.59550073 1
C C7 1 -0.04574524 0.57734142 0.69317011 1
C C8 1 0.13548866 0.69161730 0.37644764 1
C C9 1 1.00873006 0.11064213 0.24986722 1
| -154.238184 |
4,289 | C-184037-2665-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74460000
_cell_length_b 3.62061000
_cell_length_c 4.80990000
_cell_angle_alpha 67.86948000
_cell_angle_beta 89.29753000
_cell_angle_gamma 89.47605000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.27146181
_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 -0.12143563 0.48360099 0.17122414 1
C C1 1 0.87841433 1.04345564 0.67041929 1
C C2 1 0.87830961 0.10194025 0.17134373 1
C C3 1 0.87878243 0.88876443 -0.01998783 1
C C4 1 -0.12100238 0.44851800 0.47914090 1
C C5 1 0.87877905 0.82987249 0.47940857 1
| -154.087129 |
9,580 | C-57156-2568-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39789000
_cell_length_b 3.39841000
_cell_length_c 4.11461000
_cell_angle_alpha 101.46561000
_cell_angle_beta 101.47533000
_cell_angle_gamma 93.88749000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.34826086
_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 0.28541601 0.99759383 0.48518116 1
C C1 1 -0.09663084 0.13508910 0.27558402 1
C C2 1 0.54470539 0.77710071 0.27174495 1
C C3 1 -0.04112840 0.18983779 0.93048515 1
C C4 1 1.09351644 0.80662882 0.72042385 1
C C5 1 0.76525943 0.51730749 0.48495700 1
C C6 1 0.57571056 0.32530338 0.72071537 1
C C7 1 0.31404712 0.54535477 0.93308300 1
| -154.329516 |
Subsets and Splits