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Research Data Supporting "Understanding Structural and Electronic Properties of Bismuth Trihalides and Related Compounds"

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High_pressure_relax.zip		High_pressure_relax.zip
Inputs.tar.gz		Inputs.tar.gz
README.md		README.md
Relax.7z		Relax.7z

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Research Data Supporting manuscript Z. Deng, et al. "Understanding Structural and Electronic Properties of Bismuth Trihalides and Related Compounds", Inorg. Chem. 59, 6, 3377-3386 (2020), DOI: 10.1021/acs.inorgchem.9b03214

Zeyu Deng ([email protected])

Relax.7z DFT relaxed crystal structures
High_pressure_relax.zip DFT relaxed crystal structures upon pressure
Inputs.tar.gz VASP input files used in this paper

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Research Data Supporting "Understanding Structural and Electronic Properties of Bismuth Trihalides and Related Compounds"

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