Spin-Split Materials

The data includes a table file named "total_data.csv" and four folders named "Basic properties", "Lattice parameters", "Electronic structures (with SOC)", and "Spin-split data". The "total_data.csv" lists the spin-splitting material information we have screened out , such as "Formula", "E-fermi (eV)", "Space group", "Spin-split type", "Max split energy (eV)", "Basic properties", "Lattice parameters", "Electronic structures (with SOC)", "Spin-split data", and "Data source". "Spin-split type" could be Rashba, Dresselhaus and Zeeman. One material may have multiple spin-split band structures. The "Max split energy (eV)" shows the maximum split energy among all the split energies of the material. The "Basic properties" column provides a csv file name, such as "icsd-100114-Be2Li2Sb2_bp.csv". According to this file name, the corresponding csv file can be found in the folder "Basic properties". This file contains information such as "Space group", "Site group", "Space group number", "Band gap (PBE) (eV)", and "Total energy/atom (eV)". The "Lattice parameters" provides a csv file name, such as "icsd-100114-Be2Li2Sb2_lp.csv". According to this file name, the corresponding csv file can be found in the folder “Lattice parameters”. This file contains the lattice constants a, b, c, α, β, and γ. The "Electronic structures (with SOC)" provides a png file name, such as "icsd-100114-Be2Li2Sb2_band_SOC.png". According to this file name, the corresponding png file can be found in the folder "Electronic structures (with SOC)". This file is the band structure (with SOC) diagram of the material in the range of -3 eV to 3 eV, and the spin-split band are marked in the figure. The "Spin-split data" provides a csv file name, such as "icsd-100114-Be2Li2Sb2_Es_SOC.csv". The details of the spin-split properties of all marked spin-split band could be found in the csv file of "Spin-split data" folder. The csv file contains "Point" (the number of spin-split points marked in png file), "Spin-split type", "K-point/K-path" (the high symmetry k-point/k-path with spin-split), "Split energy (eV)", and "Spin split parameter" (the symbol of split energy, Er, Ed and Ez).