Graphs of Materials Project 20190401
收藏Figshare2019-12-12 更新2026-04-08 收录
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https://figshare.com/articles/Graphs_of_Materials_Project_20190401/8097992/2
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资源简介:
The `mp.2019.04.01.json.zip` data set contains 133420 graph-target pairs for structures materials project used to train the latest megnet formation energy models. <br>The whole data is a list with each item being a dictionary. The keys for the dictionary are - "material_id": the material id in materials project- "graph": the graph dictionary computed with megnet, cutoff radius is 5 A- "formation_energy_per_atom": the formation energy per atom (eV/atom)- "structure": cif string of the structure<br>The `mp_elastic.2019.04.01.json.zip` contains a list of length 12179, where each item is a dictionary with the following keys- "material_id"- "graph"- "K": bulk modulus- "G": shear modulus <br>
创建时间:
2019-12-12



