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High throughput calculations of bilayer materials: BMDB database

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DataCite Commons2023-01-16 更新2024-07-29 收录
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https://figshare.com/articles/dataset/High_throughput_calculations_of_bilayer_materials_BMDB_database/21799475/1
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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 structure files for all 760 bilayers <br>
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figshare
创建时间:
2022-12-30
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