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Repository containing the VASP optimised structure files for Cs2AgSbBr6 and Cs2AgBiBr6 from 'Electronic Band Alignment of Antimony and Bismuth Silver Halide Double Perovskites'

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Name		Name	Last commit message	Last commit date
Latest commit History 6 Commits
120_atom_interface_POSCAR.vasp		120_atom_interface_POSCAR.vasp
80_atom_interface_POSCAR.vasp		80_atom_interface_POSCAR.vasp
Cs2AgBiBr6_CONTCAR_conv.vasp		Cs2AgBiBr6_CONTCAR_conv.vasp
Cs2AgBiBr6_Convergence_Testing.ipynb		Cs2AgBiBr6_Convergence_Testing.ipynb
Cs2AgSbBr6_CONTCAR_conv.vasp		Cs2AgSbBr6_CONTCAR_conv.vasp
Cs2AgSbBr6_Convergence_Testing.ipynb		Cs2AgSbBr6_Convergence_Testing.ipynb
LICENSE		LICENSE
README.md		README.md
interface_INCAR.vasp		interface_INCAR.vasp

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Bi_Sb_double_perovskites

Repository containing the VASP optimised structure files for bulk Cs2AgSbBr6, Cs2AgBiBr6 and interface supercells (for electronic reference potential alignment) from 'Electronic Band Alignment of Antimony and Bismuth Silver Halide Double Perovskites'.

Published open-access paper here: https://doi.org/10.1039/D0TA07145E

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Repository containing the VASP optimised structure files for Cs2AgSbBr6 and Cs2AgBiBr6 from 'Electronic Band Alignment of Antimony and Bismuth Silver Halide Double Perovskites'

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