cod_exact.json

{
  "denominator_note": "stats.json + figures are SAMPLED from the ordered_only=True default view (358646 entries); every figure below is computed from the collated tensors over ALL 530868 stored entries, ordered or not.",
  "elements_symbols": [
    "H",
    "He",
    "Li",
    "Be",
    "B",
    "C",
    "N",
    "O",
    "F",
    "Ne",
    "Na",
    "Mg",
    "Al",
    "Si",
    "P",
    "S",
    "Cl",
    "Ar",
    "K",
    "Ca",
    "Sc",
    "Ti",
    "V",
    "Cr",
    "Mn",
    "Fe",
    "Co",
    "Ni",
    "Cu",
    "Zn",
    "Ga",
    "Ge",
    "As",
    "Se",
    "Br",
    "Kr",
    "Rb",
    "Sr",
    "Y",
    "Zr",
    "Nb",
    "Mo",
    "Tc",
    "Ru",
    "Rh",
    "Pd",
    "Ag",
    "Cd",
    "In",
    "Sn",
    "Sb",
    "Te",
    "I",
    "Xe",
    "Cs",
    "Ba",
    "La",
    "Ce",
    "Pr",
    "Nd",
    "Pm",
    "Sm",
    "Eu",
    "Gd",
    "Tb",
    "Dy",
    "Ho",
    "Er",
    "Tm",
    "Yb",
    "Lu",
    "Hf",
    "Ta",
    "W",
    "Re",
    "Os",
    "Ir",
    "Pt",
    "Au",
    "Hg",
    "Tl",
    "Pb",
    "Bi",
    "Po",
    "Rn",
    "Ra",
    "Ac",
    "Th",
    "Pa",
    "U",
    "Np",
    "Pu",
    "Am",
    "Cm",
    "Bk",
    "Cf",
    "Cn"
  ],
  "elements_z": [
    1,
    2,
    3,
    4,
    5,
    6,
    7,
    8,
    9,
    10,
    11,
    12,
    13,
    14,
    15,
    16,
    17,
    18,
    19,
    20,
    21,
    22,
    23,
    24,
    25,
    26,
    27,
    28,
    29,
    30,
    31,
    32,
    33,
    34,
    35,
    36,
    37,
    38,
    39,
    40,
    41,
    42,
    43,
    44,
    45,
    46,
    47,
    48,
    49,
    50,
    51,
    52,
    53,
    54,
    55,
    56,
    57,
    58,
    59,
    60,
    61,
    62,
    63,
    64,
    65,
    66,
    67,
    68,
    69,
    70,
    71,
    72,
    73,
    74,
    75,
    76,
    77,
    78,
    79,
    80,
    81,
    82,
    83,
    84,
    86,
    88,
    89,
    90,
    91,
    92,
    93,
    94,
    95,
    96,
    97,
    98,
    112
  ],
  "fraction_without_hydrogen": 0.13850147305921623,
  "n_atom_rows_occupancy_outside_0_1": 87640,
  "n_disordered": 172222,
  "n_elements": 97,
  "n_entries_ordered_default_view": 358646,
  "n_entries_stored_all": 530868,
  "n_entries_without_hydrogen": 73526,
  "n_ordered": 358646,
  "natoms_counts_species_rows_note": "natoms counts SPECIES-ROWS: a disordered mixed site contributes one row per species, so several rows can share one frac_pos and max_atoms filters on this count.",
  "natoms_species_rows_max": 35904,
  "natoms_species_rows_mean": 303.4490909227906,
  "natoms_species_rows_median": 200,
  "natoms_species_rows_min": 1,
  "occupancy_max": 130.0,
  "occupancy_min": 9.99999993922529e-09,
  "sum_species_rows": 161091412
}