Dataset for deep-learning electronic-structure calculation of magnetic superstructures
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资源简介：
Dataset files of atomic structures, magnetic configurations and Hamiltonian matrices of monolayer NiBr<sub>2</sub>, monolayer CrI<sub>3</sub> and bilayer CrI<sub>3</sub>. The dataset file of bilayer CrI<sub>3</sub> exceeds the file size limit of Zenodo and can be downloaded in this link (115 GB).
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Zenodo创建时间：
2023-02-01
