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High throughput calculations for a dataset of bilayer materials: BMDS

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Figshare2022-12-30 更新2026-04-28 收录
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https://figshare.com/articles/dataset/High_throughput_calculations_of_bilayer_materials_BMDB_database/21799475
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资源简介:
CSV file containing all data for bilayers code for generating band structure with SOC after reading an output VASP file code for generating transport properties after reading an output VASP file figures containing all band structures as computed by VASP figures containing all transport properties computed by VASP and BOLTZRAP code generating the different stacking patterns for bilayers
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2022-12-30
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