import os from matminer.datasets import load_dataset from mp_api.client import MPRester import pymatviz as pmv from pymatviz.structure_viz import structure_2d_plotly, structure_2d from pymatviz.enums import ElemColorScheme, Key from pymatgen.electronic_structure.plotter import BSDOSPlotter import matplotlib.pyplot as plt import numpy as np import pandas as pd from tqdm import tqdm MP_API_KEY = "" MID = ["mp-353", "mp-661", "mp-856", "mp-1000", "mp-1479", "mp-2284", "mp-2294", "mp-10044", "mp-10086", "mp-10910", "mp-18905", "mp-23231", "mp-36526", "mp-861883", "mp-862786"] for mid in MID: if os.path.exists(f"{mid}-eb-dos.png"): print(f"{mid}-eb-dos.png already exists, skipping...") continue with MPRester(MP_API_KEY) as mpr: bs = mpr.get_bandstructure_by_material_id(mid) dos = mpr.get_dos_by_material_id(mid) plotter = BSDOSPlotter(cb_energy_range=8) fig = plt.figure() fig = plotter.get_plot(bs, dos) plt.tight_layout() plt.savefig(f"{mid}-eb-dos.png", dpi=300, bbox_inches="tight")