A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 2)
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This database consists of bonding data computed using Lobster for 1520 solid-state compounds consisting of insulators and semiconductors. The files are named as per ID numbers in the materials project database. Here we provide the larger computational data JSON files for the rest of the 820 compounds. This file consists of all important LOBSTER computation output files data stored as a dictionary. More information about what information it contains and how to access the data, please refer our Manuscript
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Zenodo创建时间：
2023-04-18
