magnet_dataset_clean

Name: magnet_dataset_clean
Creator: will
License: https://creativecommons.org/licenses/by/4.0/

cif	nspin	steps	units	mae_ev	file_id	formula
# generated using pymatgen\ndata_CoPt\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72521526\n_cell_length_b 3.78705947\n_cell_length_c 3.78705947\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural CoPt\n_chemical_formula_sum 'Co2 Pt2'\n_cell_volume 53.42636459\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Co Co0 1 0.00000000 0.00000000 0.00000000 1.0\n Co Co1 1 0.00000000 0.50000000 0.50000000 1.0\n Pt Pt2 1 0.50000000 0.00000000 0.50000000 1.0\n Pt Pt3 1 0.50000000 0.50000000 0.00000000 1.0\n		5.0			00fc4491-9ad1-438f-a030-a392bb3ce126

15d

cif	nspin	steps	units	mae_ev	file_id	formula
# generated using pymatgen\ndata_CoPt\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.72521526\n_cell_length_b 3.78705947\n_cell_length_c 3.78705947\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural CoPt\n_chemical_formula_sum 'Co2 Pt2'\n_cell_volume 53.42636459\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Co Co0 1 0.00000000 0.00000000 0.00000000 1.0\n Co Co1 1 0.00000000 0.50000000 0.50000000 1.0\n Pt Pt2 1 0.50000000 0.00000000 0.50000000 1.0\n Pt Pt3 1 0.50000000 0.50000000 0.00000000 1.0\n		5.0			00fc4491-9ad1-438f-a030-a392bb3ce126

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