{
  "source": "https://raw.githubusercontent.com/txie-93/cdvae/f857f598d6f6cca5dc1ea0582d228f12dcc2c2ea/data/mp_20/train.csv",
  "revision": "f857f598d6f6cca5dc1ea0582d228f12dcc2c2ea",
  "license": "Materials Project data, CC BY 4.0",
  "selection": "First training CSV record",
  "record": {
    "": "37228",
    "material_id": "mp-1221227",
    "formation_energy_per_atom": "-1.637460082715517",
    "band_gap": "0.2132999999999998",
    "pretty_formula": "Na3MnCoNiO6",
    "e_above_hull": "0.0430011104166663",
    "elements": "['Co', 'Mn', 'Na', 'Ni', 'O']",
    "cif": "# generated using pymatgen\ndata_Na3MnCoNiO6\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.97762755\n_cell_length_b   7.97762755\n_cell_length_c   5.63711369\n_cell_angle_alpha   72.48857871\n_cell_angle_beta   72.48857871\n_cell_angle_gamma   21.88936910\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Na3MnCoNiO6\n_chemical_formula_sum   'Na3 Mn1 Co1 Ni1 O6'\n_cell_volume   127.31533261\n_cell_formula_units_Z   1\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  Na  Na0  1  0.33348900  0.33348900  0.00178500  1\n  Na  Na1  1  0.99987700  0.99987700  0.99972500  1\n  Na  Na2  1  0.66797500  0.66797500  0.99566200  1\n  Mn  Mn3  1  0.50017700  0.50017700  0.50073300  1\n  Co  Co4  1  0.82626400  0.82626400  0.49349200  1\n  Ni  Ni5  1  0.16703600  0.16703600  0.50580000  1\n  O  O6  1  0.92768300  0.92768300  0.69008100  1\n  O  O7  1  0.58132100  0.58132100  0.69828000  1\n  O  O8  1  0.25880500  0.25880500  0.71081800  1\n  O  O9  1  0.07075400  0.07075400  0.30547000  1\n  O  O10  1  0.75122900  0.75122900  0.29142500  1\n  O  O11  1  0.41538900  0.41538900  0.30672800  1\n",
    "spacegroup.number": "8"
  }
}