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=-volume&page=12126",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12124",
"results": [
{
"id": "mp-20483",
"created_at": "2022-09-04T14:46:29.192196Z",
"structure_string": "Pb1\n1.0\n0.000000 2.525267 2.525267\n2.525267 0.000000 2.525267\n2.525267 2.525267 0.000000\nPb\n1\ndirect\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.682845378536916,
"density_atomic": 0.03104903407774957,
"volume": 32.207121081316416,
"volume_molar": 19.39558166260509,
"formula_full": "Pb1",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -3.71264707,
"energy_per_atom": -3.71264707,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.71264707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000845,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:42.028000Z",
"spacegroup": 225
},
{
"id": "mp-1063678",
"created_at": "2022-09-04T14:47:37.879146Z",
"structure_string": "H3 S1\n1.0\n2.004260 -2.830752 0.000000\n2.004260 2.830752 0.000000\n-1.993801 0.000000 2.838129\nH S\n3 1\ndirect\n0.272615 0.272615 0.624971 H\n0.272615 0.624971 0.272615 H\n0.624971 0.272615 0.272615 H\n0.642734 0.642734 0.642734 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 1.8092552941350741,
"density_atomic": 0.1242058302994732,
"volume": 32.204607387234425,
"volume_molar": 4.848516970161539,
"formula_full": "H3 S1",
"formula_reduced": "H3S",
"formula_anonymous": "AB3",
"energy": -13.11386959,
"energy_per_atom": -3.2784673975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.61086959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046752,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.957000Z",
"spacegroup": 160
},
{
"id": "mp-1207075",
"created_at": "2022-09-04T14:40:28.591625Z",
"structure_string": "Tl1 O1\n1.0\n3.181277 0.000000 0.000000\n0.000000 3.181277 0.000000\n0.000000 0.000000 3.181277\nTl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"O"
],
"chemical_system": "O-Tl",
"density": 11.366379184170077,
"density_atomic": 0.06211915490849418,
"volume": 32.1961881636371,
"volume_molar": 9.694498852843427,
"formula_full": "Tl1 O1",
"formula_reduced": "TlO",
"formula_anonymous": "AB",
"energy": -8.18366064,
"energy_per_atom": -4.09183032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.49666064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.591000Z",
"spacegroup": 221
},
{
"id": "mp-1217812",
"created_at": "2022-09-04T14:44:15.380682Z",
"structure_string": "Ta1 V1\n1.0\n1.606700 -2.307775 0.000000\n1.606700 2.307775 0.000000\n0.000000 0.000000 4.341361\nTa V\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"V"
],
"chemical_system": "Ta-V",
"density": 11.96040270853948,
"density_atomic": 0.062122058959320235,
"volume": 32.19468307239578,
"volume_molar": 9.694045659277833,
"formula_full": "Ta1 V1",
"formula_reduced": "TaV",
"formula_anonymous": "AB",
"energy": -20.77116494,
"energy_per_atom": -10.38558247,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.77116494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4025704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.232000Z",
"spacegroup": 65
},
{
"id": "mp-1147700",
"created_at": "2022-09-04T14:46:54.514143Z",
"structure_string": "Cu2 N1\n1.0\n2.922586 0.000000 0.000000\n0.000000 2.922586 0.000000\n0.000000 0.000000 3.764885\nCu N\n2 1\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"N"
],
"chemical_system": "Cu-N",
"density": 7.285943443328541,
"density_atomic": 0.09328996723631011,
"volume": 32.15779883811929,
"volume_molar": 6.455293037830628,
"formula_full": "Cu2 N1",
"formula_reduced": "Cu2N",
"formula_anonymous": "AB2",
"energy": -15.48125486,
"energy_per_atom": -5.160418286666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.12025486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.327000Z",
"spacegroup": 123
},
{
"id": "mp-1601",
"created_at": "2022-09-04T14:43:55.021765Z",
"structure_string": "Ta1 Ru1\n1.0\n3.067891 0.000000 0.000000\n0.000000 3.067891 0.000000\n0.000000 0.000000 3.416679\nTa Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 14.562693596244367,
"density_atomic": 0.062193638723644716,
"volume": 32.157629639374065,
"volume_molar": 9.682888609812933,
"formula_full": "Ta1 Ru1",
"formula_reduced": "TaRu",
"formula_anonymous": "AB",
"energy": -21.77124299,
"energy_per_atom": -10.885621495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.77124299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004438,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.490000Z",
"spacegroup": 123
},
{
"id": "mp-1963",
"created_at": "2022-09-04T14:47:04.927466Z",
"structure_string": "Nb1 Rh1\n1.0\n2.879837 0.000000 0.000000\n0.000000 2.879837 0.000000\n0.000000 0.000000 3.877267\nNb Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"Rh"
],
"chemical_system": "Nb-Rh",
"density": 10.111756697385587,
"density_atomic": 0.06219686178752029,
"volume": 32.15596321937415,
"volume_molar": 9.682386839022694,
"formula_full": "Nb1 Rh1",
"formula_reduced": "NbRh",
"formula_anonymous": "AB",
"energy": -18.26823899,
"energy_per_atom": -9.134119495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.26823899,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050183,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.637000Z",
"spacegroup": 123
},
{
"id": "mp-7245",
"created_at": "2022-09-04T14:45:52.698538Z",
"structure_string": "P2\n1.0\n-1.713534 1.861032 2.520878\n1.713534 -1.861032 2.520878\n1.713534 1.861032 -2.520878\nP\n2\ndirect\n0.199318 0.750000 0.449318 P\n0.800682 0.250000 0.550682 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.1990031202063465,
"density_atomic": 0.06219731102802216,
"volume": 32.15573096237114,
"volume_molar": 9.682316904804464,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -10.63957907,
"energy_per_atom": -5.319789535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.63957907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.853000Z",
"spacegroup": 74
},
{
"id": "mp-1420858",
"created_at": "2022-09-04T14:42:44.616343Z",
"structure_string": "Bi1 N1\n1.0\n3.179564 0.000000 0.000000\n0.000000 3.179564 0.000000\n0.000000 0.000000 3.179564\nBi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"N"
],
"chemical_system": "Bi-N",
"density": 11.519300920011288,
"density_atomic": 0.06221960967345516,
"volume": 32.14420679423296,
"volume_molar": 9.678846896670962,
"formula_full": "Bi1 N1",
"formula_reduced": "BiN",
"formula_anonymous": "AB",
"energy": -9.91870357,
"energy_per_atom": -4.959351785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.55770357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.005000Z",
"spacegroup": 221
},
{
"id": "mp-11552",
"created_at": "2022-09-04T14:47:28.842161Z",
"structure_string": "Ti1 Pt1\n1.0\n3.179305 0.000000 0.000000\n0.000000 3.179305 0.000000\n0.000000 0.000000 3.179305\nTi Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Pt"
],
"chemical_system": "Pt-Ti",
"density": 12.553684487411036,
"density_atomic": 0.06223481695151984,
"volume": 32.13635225372279,
"volume_molar": 9.676481839243095,
"formula_full": "Ti1 Pt1",
"formula_reduced": "TiPt",
"formula_anonymous": "AB",
"energy": -15.53572001,
"energy_per_atom": -7.767860005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53572001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001773,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.058000Z",
"spacegroup": 221
},
{
"id": "mp-1061123",
"created_at": "2022-09-04T14:39:07.899283Z",
"structure_string": "Ti1 Al1\n1.0\n3.179064 0.000000 0.000000\n0.000000 3.179064 0.000000\n0.000000 0.000000 3.179064\nTi Al\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.8684288137725438,
"density_atomic": 0.06224897180458448,
"volume": 32.129044737935814,
"volume_molar": 9.674281494809339,
"formula_full": "Ti1 Al1",
"formula_reduced": "TiAl",
"formula_anonymous": "AB",
"energy": -12.1717746,
"energy_per_atom": -6.0858873,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.1717746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1463045,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.388000Z",
"spacegroup": 221
},
{
"id": "mp-1183233",
"created_at": "2022-09-04T14:43:13.891724Z",
"structure_string": "Ag1 Rh1\n1.0\n1.388794 -2.405462 0.000000\n1.388794 2.405462 0.000000\n0.000000 0.000000 4.808602\nAg Rh\n1 1\ndirect\n0.333333 0.666667 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Rh"
],
"chemical_system": "Ag-Rh",
"density": 10.893824043721382,
"density_atomic": 0.062250785395553565,
"volume": 32.12810870243021,
"volume_molar": 9.673999647930785,
"formula_full": "Ag1 Rh1",
"formula_reduced": "AgRh",
"formula_anonymous": "AB",
"energy": -9.67025304,
"energy_per_atom": -4.83512652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.67025304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4080434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.645000Z",
"spacegroup": 187
}
]
}