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=-formula_anonymous&page=12171",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12169",
"results": [
{
"id": "mp-12883",
"created_at": "2022-09-04T14:41:02.265157Z",
"structure_string": "P8\n1.0\n4.523025 5.098260 0.000000\n-4.523025 5.098260 0.000000\n0.000000 0.021401 6.000834\nP\n8\ndirect\n0.837502 0.837502 0.755020 P\n0.162498 0.162498 0.244980 P\n0.717865 0.717865 0.450271 P\n0.282135 0.282135 0.549729 P\n0.528690 0.772283 0.747424 P\n0.227717 0.471310 0.252576 P\n0.471310 0.227717 0.252576 P\n0.772283 0.528690 0.747424 P\n",
"nsites": 8,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 1.4867586182452428,
"density_atomic": 0.028906626448250247,
"volume": 276.75315257980407,
"volume_molar": 20.833080507616717,
"formula_full": "P8",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -42.1937442,
"energy_per_atom": -5.274218025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.1937442,
"band_gap": 3.5354,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.741000Z",
"spacegroup": 12
},
{
"id": "mp-1056699",
"created_at": "2022-09-04T14:40:59.750856Z",
"structure_string": "U1\n1.0\n-0.006178 -2.680697 -0.026344\n0.017980 0.022401 -2.664060\n2.665728 -0.007871 0.015587\nU\n1\ndirect\n0.499999 0.000002 0.500000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 20.759420594174422,
"density_atomic": 0.052521415552994846,
"volume": 19.039852400607632,
"volume_molar": 11.466067120608306,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -11.12494657,
"energy_per_atom": -11.12494657,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.12494657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.579000Z",
"spacegroup": 221
},
{
"id": "mp-168",
"created_at": "2022-09-04T14:41:02.443118Z",
"structure_string": "Si8\n1.0\n-3.327825 3.327825 3.327825\n3.327825 -3.327825 3.327825\n3.327825 3.327825 -3.327825\nSi\n8\ndirect\n0.203114 0.203114 0.203114 Si\n0.296886 0.500000 0.000000 Si\n0.000000 0.296886 0.500000 Si\n0.500000 0.000000 0.296886 Si\n0.796886 0.796886 0.796886 Si\n0.703114 0.500000 0.000000 Si\n0.000000 0.703114 0.500000 Si\n0.500000 0.000000 0.703114 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.5309281311574705,
"density_atomic": 0.054268592207869545,
"volume": 147.41491670461855,
"volume_molar": 11.096917231486104,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -42.12232846,
"energy_per_atom": -5.2652910575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.12232846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001211,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.435000Z",
"spacegroup": 206
},
{
"id": "mp-53",
"created_at": "2022-09-04T14:40:15.171595Z",
"structure_string": "P1\n1.0\n2.447489 0.000000 0.000000\n0.000000 2.447489 0.000000\n0.000000 0.000000 2.447489\nP\n1\ndirect\n0.500000 0.500000 0.500000 P\n",
"nsites": 1,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.508171440034269,
"density_atomic": 0.0682083830482045,
"volume": 14.660954494307191,
"volume_molar": 8.829033164067253,
"formula_full": "P1",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -5.26965166,
"energy_per_atom": -5.26965166,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.26965166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.434000Z",
"spacegroup": 221
},
{
"id": "mp-1186055",
"created_at": "2022-09-04T14:40:13.316662Z",
"structure_string": "Na20\n1.0\n9.102791 0.000000 0.000000\n0.000000 9.102791 0.000000\n0.000000 0.000000 9.102791\nNa\n20\ndirect\n0.875000 0.702081 0.047919 Na\n0.063494 0.063494 0.063494 Na\n0.202081 0.452081 0.125000 Na\n0.813494 0.313494 0.186506 Na\n0.452081 0.125000 0.202081 Na\n0.547919 0.625000 0.297919 Na\n0.186506 0.813494 0.313494 Na\n0.797919 0.952081 0.375000 Na\n0.936506 0.563494 0.436506 Na\n0.125000 0.202081 0.452081 Na\n0.625000 0.297919 0.547919 Na\n0.436506 0.936506 0.563494 Na\n0.297919 0.547919 0.625000 Na\n0.686506 0.686506 0.686506 Na\n0.047919 0.875000 0.702081 Na\n0.952081 0.375000 0.797919 Na\n0.313494 0.186506 0.813494 Na\n0.702081 0.047919 0.875000 Na\n0.563494 0.436506 0.936506 Na\n0.375000 0.797919 0.952081 Na\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.012255142103122,
"density_atomic": 0.026515894433915044,
"volume": 754.2645808100323,
"volume_molar": 22.71143737960205,
"formula_full": "Na20",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -25.95393732,
"energy_per_atom": -1.2976968660000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.95393732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4023172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.060000Z",
"spacegroup": 213
},
{
"id": "mp-1179990",
"created_at": "2022-09-04T14:40:13.627236Z",
"structure_string": "P2\n1.0\n5.482031 6.101249 0.000000\n-5.482031 6.101249 0.000000\n0.000000 1.435233 5.150358\nP\n2\ndirect\n0.455085 0.455085 0.879676 P\n0.544915 0.544915 0.120324 P\n",
"nsites": 2,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.2985694719708449,
"density_atomic": 0.0058050016251453805,
"volume": 344.5304806352939,
"volume_molar": 103.7405525248097,
"formula_full": "P2",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -9.07396909,
"energy_per_atom": -4.536984545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.07396909,
"band_gap": 3.0938,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.073000Z",
"spacegroup": 12
},
{
"id": "mp-867351",
"created_at": "2022-09-04T14:40:12.235436Z",
"structure_string": "Tc4\n1.0\n1.382245 -2.394118 0.000000\n1.382245 2.394118 0.000000\n0.000000 0.000000 8.828138\nTc\n4\ndirect\n0.000000 0.000000 0.000000 Tc\n0.333333 0.666667 0.250000 Tc\n0.000000 0.000000 0.500000 Tc\n0.666667 0.333333 0.750000 Tc\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.140520341455279,
"density_atomic": 0.06845896087660382,
"volume": 58.42916615707819,
"volume_molar": 8.79671657718383,
"formula_full": "Tc4",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"energy": -41.42936174,
"energy_per_atom": -10.357340435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.42936174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.793000Z",
"spacegroup": 194
},
{
"id": "mp-7163",
"created_at": "2022-09-04T14:40:14.908624Z",
"structure_string": "Tb1\n1.0\n0.000000 2.517929 2.517929\n2.517929 0.000000 2.517929\n2.517929 2.517929 0.000000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.265741875915388,
"density_atomic": 0.03132128454006295,
"volume": 31.927170762134715,
"volume_molar": 19.226991639813175,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.61548096,
"energy_per_atom": -4.61548096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61548096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.487000Z",
"spacegroup": 225
},
{
"id": "mp-1182425",
"created_at": "2022-09-04T14:40:01.345437Z",
"structure_string": "B12\n1.0\n3.621913 2.310403 6.163776\n-2.133934 2.569353 3.013264\n-3.060961 -4.544889 -1.076794\nB\n12\ndirect\n0.205361 0.740347 0.000000 B\n0.998252 0.468183 0.753717 B\n0.244535 0.468183 0.246283 B\n0.794639 0.259653 0.000000 B\n0.001748 0.531817 0.246283 B\n0.755465 0.531817 0.753717 B\n0.088000 0.179893 0.000000 B\n0.481624 0.567711 0.363304 B\n0.118320 0.567711 0.636696 B\n0.912000 0.820107 0.000000 B\n0.518376 0.432289 0.636696 B\n0.881680 0.432289 0.363304 B\n",
"nsites": 12,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 1.7771704951419987,
"density_atomic": 0.09899519822368441,
"volume": 121.21800062347896,
"volume_molar": 6.083265520002984,
"formula_full": "B12",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -74.36469827,
"energy_per_atom": -6.197058189166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.36469827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.579000Z",
"spacegroup": 12
},
{
"id": "mp-1078638",
"created_at": "2022-09-04T14:40:12.858396Z",
"structure_string": "Ca8\n1.0\n4.561378 0.000000 0.000000\n0.000000 4.561378 0.000000\n0.000000 0.000000 16.031352\nCa\n8\ndirect\n0.007130 0.483393 0.687587 Ca\n0.992870 0.516607 0.187587 Ca\n0.983393 0.492870 0.437587 Ca\n0.016607 0.507130 0.937587 Ca\n0.516607 0.992870 0.812413 Ca\n0.483393 0.007130 0.312413 Ca\n0.492870 0.983393 0.562413 Ca\n0.507130 0.016607 0.062413 Ca\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5961836142621397,
"density_atomic": 0.02398433656173962,
"volume": 333.55102316074857,
"volume_molar": 25.1086401514506,
"formula_full": "Ca8",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -15.89158303,
"energy_per_atom": -1.98644787875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.89158303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0661757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.890000Z",
"spacegroup": 92
},
{
"id": "mp-1187790",
"created_at": "2022-09-04T14:40:13.908448Z",
"structure_string": "Tl29\n1.0\n-6.126998 6.126998 6.126998\n6.126998 -6.126998 6.126998\n6.126998 6.126998 -6.126998\nTl\n29\ndirect\n0.000000 0.000000 0.363429 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.317122 0.598436 Tl\n0.000000 0.363429 0.000000 Tl\n0.000000 0.598436 0.317122 Tl\n0.000000 0.625784 0.809041 Tl\n0.000000 0.809041 0.625784 Tl\n0.816743 0.190959 0.190959 Tl\n0.809041 0.000000 0.625784 Tl\n0.809041 0.625784 0.000000 Tl\n0.718686 0.401564 0.401564 Tl\n0.682878 0.682878 0.281314 Tl\n0.682878 0.281314 0.682878 Tl\n0.636571 0.636571 0.636571 Tl\n0.625784 0.809041 0.000000 Tl\n0.625784 0.000000 0.809041 Tl\n0.598436 0.000000 0.317122 Tl\n0.598436 0.317122 0.000000 Tl\n0.401564 0.401564 0.718686 Tl\n0.401564 0.718686 0.401564 Tl\n0.374216 0.374216 0.183257 Tl\n0.374216 0.183257 0.374216 Tl\n0.363429 0.000000 0.000000 Tl\n0.317122 0.598436 0.000000 Tl\n0.317122 0.000000 0.598436 Tl\n0.281314 0.682878 0.682878 Tl\n0.190959 0.190959 0.816743 Tl\n0.190959 0.816743 0.190959 Tl\n0.183257 0.374216 0.374216 Tl\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.697672430273183,
"density_atomic": 0.03152062286974502,
"volume": 920.0325805691983,
"volume_molar": 19.10539897921984,
"formula_full": "Tl29",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -68.4161854,
"energy_per_atom": -2.359178806896552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.4161854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0278383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.668000Z",
"spacegroup": 217
},
{
"id": "mp-975204",
"created_at": "2022-09-04T14:40:40.967739Z",
"structure_string": "Rb2\n1.0\n2.505664 -4.451718 0.000000\n2.505664 4.451718 0.000000\n0.000000 0.000000 8.184475\nRb\n2\ndirect\n0.839840 0.160160 0.250000 Rb\n0.160160 0.839840 0.750000 Rb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.554570124248827,
"density_atomic": 0.01095364583240984,
"volume": 182.58760878340294,
"volume_molar": 54.97841405627324,
"formula_full": "Rb2",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -1.93738593,
"energy_per_atom": -0.968692965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.93738593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0221897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.617000Z",
"spacegroup": 63
}
]
}