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Supporting data for "Pressure tuning of Kitaev spin liquid candidate Na3Co2SbO6"

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https://zenodo.org/record/14052639
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资源简介:
.cif files for relaxed Na3Co2SbO6 structures at high pressures. Atomic positions were relaxed using DFT (while keeping lattice parameters fixed from experimental findings) on structure files named NCSO-"pressure"GPa.cif ; while a full relaxation of atomic positions and lattice parameters was done for structure files named NCSO-"pressure"GPa-all-relaxed.cif. HS (LS) stands for high- (low-)spin structures. "p" was used as decimal separator on pressure values when needed.
创建时间:
2024-12-13
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