HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=82",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=80",
"results": [
{
"id": "mp-153",
"created_at": "2022-09-04T14:45:54.713555Z",
"structure_string": "Mg2\n1.0\n1.601514 -2.773903 0.000000\n1.601514 2.773903 0.000000\n0.000000 0.000000 5.126691\nMg\n2\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7720891684001192,
"density_atomic": 0.04390771616977905,
"volume": 45.550080360967776,
"volume_molar": 13.715449778152976,
"formula_full": "Mg2",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -3.18178778,
"energy_per_atom": -1.59089389,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.18178778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.196000Z",
"spacegroup": 194
},
{
"id": "mp-1226716",
"created_at": "2022-09-04T14:42:02.581837Z",
"structure_string": "Cd1 Ag1\n1.0\n1.701778 -2.414078 0.000000\n1.701778 2.414078 0.000000\n0.000000 0.000000 4.790232\nCd Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd",
"density": 9.293554316663222,
"density_atomic": 0.0508146863389667,
"volume": 39.35870009427415,
"volume_molar": 11.851181604917208,
"formula_full": "Cd1 Ag1",
"formula_reduced": "CdAg",
"formula_anonymous": "AB",
"energy": -3.7948551,
"energy_per_atom": -1.89742755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.7948551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.184000Z",
"spacegroup": 65
},
{
"id": "mp-1055",
"created_at": "2022-09-04T14:41:53.740230Z",
"structure_string": "Cd1 Se1\n1.0\n0.000000 2.873958 2.873958\n2.873958 0.000000 2.873958\n2.873958 2.873958 0.000000\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Se"
],
"chemical_system": "Cd-Se",
"density": 6.693510929408785,
"density_atomic": 0.04212682695855501,
"volume": 47.475685789666265,
"volume_molar": 14.2952631251451,
"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
"energy": -5.839225000000001,
"energy_per_atom": -2.9196125000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.367225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.459000Z",
"spacegroup": 225
},
{
"id": "mp-10764",
"created_at": "2022-09-04T14:41:53.320480Z",
"structure_string": "Hg1 S1\n1.0\n0.000000 2.790765 2.790765\n2.790765 0.000000 2.790765\n2.790765 2.790765 0.000000\nHg S\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"S"
],
"chemical_system": "Hg-S",
"density": 8.88713319428579,
"density_atomic": 0.04600766548524869,
"volume": 43.47101681656189,
"volume_molar": 13.08942911248314,
"formula_full": "Hg1 S1",
"formula_reduced": "HgS",
"formula_anonymous": "AB",
"energy": -4.84546934,
"energy_per_atom": -2.42273467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.34246934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.83e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.326000Z",
"spacegroup": 225
},
{
"id": "mp-20812",
"created_at": "2022-09-04T14:40:03.328203Z",
"structure_string": "In1 N1\n1.0\n0.000000 2.354721 2.354721\n2.354721 0.000000 2.354721\n2.354721 2.354721 0.000000\nIn N\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"N"
],
"chemical_system": "In-N",
"density": 8.192187253600032,
"density_atomic": 0.07659168589642538,
"volume": 26.112494803999898,
"volume_molar": 7.8626559652228005,
"formula_full": "In1 N1",
"formula_reduced": "InN",
"formula_anonymous": "AB",
"energy": -10.82418329,
"energy_per_atom": -5.412091645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.46318329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001913,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.800000Z",
"spacegroup": 225
},
{
"id": "mp-721",
"created_at": "2022-09-04T14:46:00.322399Z",
"structure_string": "Tb1 Cd1\n1.0\n3.767115 0.000000 0.000000\n0.000000 3.767115 0.000000\n0.000000 0.000000 3.767115\nTb Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Cd"
],
"chemical_system": "Cd-Tb",
"density": 8.428114775707451,
"density_atomic": 0.037411348341853966,
"volume": 53.459714462162246,
"volume_molar": 16.09709627402744,
"formula_full": "Tb1 Cd1",
"formula_reduced": "TbCd",
"formula_anonymous": "AB",
"energy": -6.19751727,
"energy_per_atom": -3.098758635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.19751727,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1812254,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.934000Z",
"spacegroup": 221
},
{
"id": "mp-623",
"created_at": "2022-09-04T14:41:53.156564Z",
"structure_string": "Hg1 Pt1\n1.0\n3.023661 0.000000 0.000000\n0.000000 3.023661 0.000000\n0.000000 0.000000 3.987660\nHg Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt",
"density": 18.021971241043683,
"density_atomic": 0.05485872087816884,
"volume": 36.45728460278236,
"volume_molar": 10.977544980266803,
"formula_full": "Hg1 Pt1",
"formula_reduced": "HgPt",
"formula_anonymous": "AB",
"energy": -6.26109174,
"energy_per_atom": -3.13054587,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.26109174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.14e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.703000Z",
"spacegroup": 123
},
{
"id": "mp-1238899",
"created_at": "2022-09-04T14:47:58.698288Z",
"structure_string": "Mn1 O1\n1.0\n2.970707 0.000508 1.718000\n0.991301 2.803818 1.716982\n0.326676 -1.871844 2.868113\nMn O\n1 1\ndirect\n0.000397 0.499801 0.499335 Mn\n0.499604 0.250198 0.750664 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.107990123910407,
"density_atomic": 0.06974847987667881,
"volume": 28.674460053268092,
"volume_molar": 8.634081732888877,
"formula_full": "Mn1 O1",
"formula_reduced": "MnO",
"formula_anonymous": "AB",
"energy": -17.908837769999998,
"energy_per_atom": -8.954418884999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.55383777,
"band_gap": 0.0053,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9999661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.994000Z",
"spacegroup": 216
},
{
"id": "mp-11495",
"created_at": "2022-09-04T14:48:05.824109Z",
"structure_string": "Lu1 Ru1\n1.0\n3.332703 0.000000 0.000000\n0.000000 3.332703 0.000000\n0.000000 0.000000 3.332703\nLu Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Ru"
],
"chemical_system": "Lu-Ru",
"density": 12.383019561505579,
"density_atomic": 0.054030645789506955,
"volume": 37.01602989887659,
"volume_molar": 11.145787121370168,
"formula_full": "Lu1 Ru1",
"formula_reduced": "LuRu",
"formula_anonymous": "AB",
"energy": -14.73301107,
"energy_per_atom": -7.366505535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.73301107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019987,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.461000Z",
"spacegroup": 221
},
{
"id": "mp-2522",
"created_at": "2022-09-04T14:48:07.140169Z",
"structure_string": "Lu1 Hg1\n1.0\n3.655831 0.000000 0.000000\n0.000000 3.655831 0.000000\n0.000000 0.000000 3.655831\nLu Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Hg"
],
"chemical_system": "Hg-Lu",
"density": 12.76340720277349,
"density_atomic": 0.040932819667247336,
"volume": 48.86054799690022,
"volume_molar": 14.71225488240346,
"formula_full": "Lu1 Hg1",
"formula_reduced": "LuHg",
"formula_anonymous": "AB",
"energy": -5.76823268,
"energy_per_atom": -2.88411634,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.76823268,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.881000Z",
"spacegroup": 221
},
{
"id": "mp-1206819",
"created_at": "2022-09-04T14:47:46.623918Z",
"structure_string": "Zn1 Ir1\n1.0\n1.406065 -2.435377 0.000000\n1.406065 2.435377 0.000000\n0.000000 0.000000 4.180885\nZn Ir\n1 1\ndirect\n0.666667 0.333333 0.500000 Zn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ir"
],
"chemical_system": "Ir-Zn",
"density": 14.940632120728665,
"density_atomic": 0.06984899793149653,
"volume": 28.63319531028166,
"volume_molar": 8.621656628354401,
"formula_full": "Zn1 Ir1",
"formula_reduced": "ZnIr",
"formula_anonymous": "AB",
"energy": -10.48618992,
"energy_per_atom": -5.24309496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.48618992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.302000Z",
"spacegroup": 187
},
{
"id": "mp-634105",
"created_at": "2022-09-04T14:47:58.631070Z",
"structure_string": "H1 Br1\n1.0\n0.000000 4.038815 4.254400\n1.676888 0.000000 4.254400\n1.676888 4.038815 0.000000\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Br"
],
"chemical_system": "Br-H",
"density": 2.3314997790365335,
"density_atomic": 0.0347059280895231,
"volume": 57.62704270120794,
"volume_molar": 17.351908136460242,
"formula_full": "H1 Br1",
"formula_reduced": "HBr",
"formula_anonymous": "AB",
"energy": -5.44598591,
"energy_per_atom": -2.722992955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.91198591,
"band_gap": 1.4833,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.148000Z",
"spacegroup": 69
}
]
}