Hugging Face's logo

Datasets:
StructureCloud
/
WBM

Dataset card Files
xet
 Community
WBM / wbm_stats.json
Ty-Perez's picture
Ty-Perez
Upload wbm_stats.json with huggingface_hub
04a9406 verified
Raw
History Blame Contribute Delete
6.3 kB
{
 "n_total": 256963,
 "sample_size": 8000,
 "atoms_per_structure": {
 "min": 2,
 "max": 80,
 "mean": 7.731125
 },
 "bounding_box_extent_angstrom": {
 "side_min": 0.0005639269948005676,
 "side_max": 30.204420745372772,
 "diagonal_min": 2.2570495313683625,
 "diagonal_max": 30.314284816641067
 },
 "elements": {
 "count": 84,
 "atomic_numbers": [
 1,
 3,
 4,
 5,
 6,
 7,
 8,
 9,
 11,
 12,
 13,
 14,
 15,
 16,
 17,
 19,
 20,
 21,
 22,
 23,
 24,
 25,
 26,
 27,
 28,
 29,
 30,
 31,
 32,
 33,
 34,
 35,
 37,
 38,
 39,
 40,
 41,
 42,
 43,
 44,
 45,
 46,
 47,
 48,
 49,
 50,
 51,
 52,
 53,
 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,
 89,
 90,
 91,
 92,
 93,
 94
 ],
 "symbols": [
 "H",
 "Li",
 "Be",
 "B",
 "C",
 "N",
 "O",
 "F",
 "Na",
 "Mg",
 "Al",
 "Si",
 "P",
 "S",
 "Cl",
 "K",
 "Ca",
 "Sc",
 "Ti",
 "V",
 "Cr",
 "Mn",
 "Fe",
 "Co",
 "Ni",
 "Cu",
 "Zn",
 "Ga",
 "Ge",
 "As",
 "Se",
 "Br",
 "Rb",
 "Sr",
 "Y",
 "Zr",
 "Nb",
 "Mo",
 "Tc",
 "Ru",
 "Rh",
 "Pd",
 "Ag",
 "Cd",
 "In",
 "Sn",
 "Sb",
 "Te",
 "I",
 "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",
 "Ac",
 "Th",
 "Pa",
 "U",
 "Np",
 "Pu"
 ],
 "counts": {
 "1": 708,
 "3": 497,
 "4": 38,
 "5": 635,
 "6": 358,
 "7": 980,
 "8": 4611,
 "9": 1802,
 "11": 439,
 "12": 829,
 "13": 1668,
 "14": 1563,
 "15": 730,
 "16": 1297,
 "17": 767,
 "19": 548,
 "20": 654,
 "21": 594,
 "22": 412,
 "23": 397,
 "24": 438,
 "25": 1001,
 "26": 1461,
 "27": 1179,
 "28": 1493,
 "29": 1292,
 "30": 1004,
 "31": 1382,
 "32": 1573,
 "33": 817,
 "34": 1358,
 "35": 713,
 "37": 452,
 "38": 709,
 "39": 595,
 "40": 622,
 "41": 360,
 "42": 112,
 "43": 67,
 "44": 805,
 "45": 1119,
 "46": 1156,
 "47": 489,
 "48": 529,
 "49": 1384,
 "50": 1380,
 "51": 691,
 "52": 896,
 "53": 519,
 "55": 403,
 "56": 646,
 "57": 608,
 "58": 447,
 "59": 529,
 "60": 554,
 "61": 54,
 "62": 572,
 "63": 288,
 "64": 301,
 "65": 600,
 "66": 594,
 "67": 618,
 "68": 519,
 "69": 600,
 "70": 684,
 "71": 406,
 "72": 405,
 "73": 416,
 "74": 140,
 "75": 116,
 "76": 397,
 "77": 897,
 "78": 1259,
 "79": 936,
 "80": 389,
 "81": 522,
 "82": 640,
 "83": 356,
 "89": 51,
 "90": 537,
 "91": 116,
 "92": 423,
 "93": 341,
 "94": 362
 }
 },
 "label_y": {
 "min": -4.467788219451904,
 "max": 1.8971389532089233,
 "mean": -0.7810660195148196
 },
 "exact": {
 "atoms_per_structure_exact": {
 "min": 2,
 "max": 100,
 "mean": 7.760389628078751
 },
 "elements_exact": {
 "count": 85,
 "atomic_numbers": [
 1,
 3,
 4,
 5,
 6,
 7,
 8,
 9,
 11,
 12,
 13,
 14,
 15,
 16,
 17,
 19,
 20,
 21,
 22,
 23,
 24,
 25,
 26,
 27,
 28,
 29,
 30,
 31,
 32,
 33,
 34,
 35,
 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,
 89,
 90,
 91,
 92,
 93,
 94
 ],
 "symbols": [
 "H",
 "Li",
 "Be",
 "B",
 "C",
 "N",
 "O",
 "F",
 "Na",
 "Mg",
 "Al",
 "Si",
 "P",
 "S",
 "Cl",
 "K",
 "Ca",
 "Sc",
 "Ti",
 "V",
 "Cr",
 "Mn",
 "Fe",
 "Co",
 "Ni",
 "Cu",
 "Zn",
 "Ga",
 "Ge",
 "As",
 "Se",
 "Br",
 "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",
 "Ac",
 "Th",
 "Pa",
 "U",
 "Np",
 "Pu"
 ]
 },
 "num_structures": 256963,
 "unique_prototypes": 215488
 }
}