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=elements&page=50",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=48",
"results": [
{
"id": "mp-80",
"created_at": "2022-09-04T14:41:13.284675Z",
"structure_string": "Sb2\n1.0\n1.697055 -2.939385 0.000000\n1.697055 2.939385 0.000000\n0.000000 0.000000 5.494676\nSb\n2\ndirect\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.376651339480906,
"density_atomic": 0.03648425814647526,
"volume": 54.81816272570201,
"volume_molar": 16.506134606938136,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -7.67733684,
"energy_per_atom": -3.83866842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.67733684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.07e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.119000Z",
"spacegroup": 194
},
{
"id": "mp-567409",
"created_at": "2022-09-04T14:39:11.650265Z",
"structure_string": "Sb4\n1.0\n4.421100 0.000000 0.000000\n0.000000 4.527700 0.000000\n0.000000 1.320519 6.364348\nSb\n4\ndirect\n0.750000 0.660070 0.683670 Sb\n0.250000 0.063362 0.762758 Sb\n0.750000 0.936638 0.237242 Sb\n0.250000 0.339930 0.316330 Sb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.348217939294897,
"density_atomic": 0.03139771847799148,
"volume": 127.39779174731557,
"volume_molar": 19.180185860387517,
"formula_full": "Sb4",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -16.03242671,
"energy_per_atom": -4.0081066775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.03242671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008247,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.287000Z",
"spacegroup": 11
},
{
"id": "mp-1055932",
"created_at": "2022-09-04T14:47:11.383160Z",
"structure_string": "Sc1\n1.0\n-0.882445 0.564392 -3.041088\n-1.668220 -2.819740 -0.089223\n-1.521212 2.804144 -0.808507\nSc\n1\ndirect\n0.999917 0.000033 0.000017 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.065334543066161,
"density_atomic": 0.04106217687501044,
"volume": 24.35331188221973,
"volume_molar": 14.665907212690778,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.27999419,
"energy_per_atom": -6.27999419,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.27999419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.933000Z",
"spacegroup": 166
},
{
"id": "mp-601273",
"created_at": "2022-09-04T14:40:16.313226Z",
"structure_string": "Sc6\n1.0\n1.616966 -2.800667 0.000000\n1.616966 2.800667 0.000000\n0.000000 0.000000 16.385516\nSc\n6\ndirect\n0.529844 0.000000 0.500000 Sc\n0.470156 0.000000 0.000000 Sc\n0.000000 0.470156 0.333333 Sc\n0.470156 0.470156 0.166667 Sc\n0.000000 0.529844 0.833333 Sc\n0.529844 0.529844 0.666667 Sc\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.018107328995218,
"density_atomic": 0.04042953721031817,
"volume": 148.40634877385435,
"volume_molar": 14.895398699896738,
"formula_full": "Sc6",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -37.22857284,
"energy_per_atom": -6.20476214,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.22857284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5982564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.478000Z",
"spacegroup": 178
},
{
"id": "mp-1977495",
"created_at": "2022-09-04T14:39:25.505549Z",
"structure_string": "Sc3\n1.0\n1.879878 0.000000 -2.590497\n0.000000 5.000534 0.000000\n3.561597 -2.500267 2.590497\nSc\n3\ndirect\n0.995108 0.333234 0.666467 Sc\n0.500000 0.000000 0.000000 Sc\n0.004892 0.666766 0.333533 Sc\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.1771743534142263,
"density_atomic": 0.04256034485950269,
"volume": 70.48815064594508,
"volume_molar": 14.149652170065538,
"formula_full": "Sc3",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -18.8014401,
"energy_per_atom": -6.2671467000000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.8014401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0418928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.358000Z",
"spacegroup": 191
},
{
"id": "mp-1179655",
"created_at": "2022-09-04T14:47:19.449208Z",
"structure_string": "Sc6\n1.0\n5.000534 0.000000 0.000000\n-2.500267 5.364330 0.913025\n0.000000 2.837134 5.738392\nSc\n6\ndirect\n0.314098 0.333533 0.085680 Sc\n0.666211 0.000000 0.500000 Sc\n0.980566 0.666467 0.914320 Sc\n0.353004 0.333757 0.585608 Sc\n0.666874 0.000000 0.000000 Sc\n0.019247 0.666243 0.414392 Sc\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.1771738168809556,
"density_atomic": 0.04256033767228584,
"volume": 140.97632509873247,
"volume_molar": 14.149654559534799,
"formula_full": "Sc6",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -37.59723033,
"energy_per_atom": -6.266205055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.59723033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0628492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.008000Z",
"spacegroup": 72
},
{
"id": "mp-1008681",
"created_at": "2022-09-04T14:42:19.616764Z",
"structure_string": "Sc1\n1.0\n2.989426 0.000000 0.000000\n0.000000 2.989426 0.000000\n0.000000 0.000000 2.989426\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 2.7942965058753915,
"density_atomic": 0.03743144369837954,
"volume": 26.715507103010598,
"volume_molar": 16.088454424910964,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -5.61301517,
"energy_per_atom": -5.61301517,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.61301517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9076781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.836000Z",
"spacegroup": 221
},
{
"id": "mp-1056366",
"created_at": "2022-09-04T14:39:31.265276Z",
"structure_string": "Sc1\n1.0\n0.000000 0.000000 3.360069\n-1.914780 1.914780 1.680035\n-1.914780 -1.914780 1.680035\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.029841802192606,
"density_atomic": 0.040586728214169976,
"volume": 24.63859601402588,
"volume_molar": 14.837709332523877,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.22265527,
"energy_per_atom": -6.22265527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.22265527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0149012,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.897000Z",
"spacegroup": 139
},
{
"id": "mp-67",
"created_at": "2022-09-04T14:45:05.794040Z",
"structure_string": "Sc2\n1.0\n1.659328 -2.874040 0.000000\n1.659328 2.874040 0.000000\n0.000000 0.000000 5.178040\nSc\n2\ndirect\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.023050895931203,
"density_atomic": 0.0404957595482284,
"volume": 49.38788708526633,
"volume_molar": 14.871040393322998,
"formula_full": "Sc2",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -12.66493821,
"energy_per_atom": -6.332469105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.66493821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8552319,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.094000Z",
"spacegroup": 194
},
{
"id": "mp-36",
"created_at": "2022-09-04T14:45:12.159663Z",
"structure_string": "Sc1\n1.0\n0.000000 2.309476 2.309476\n2.309476 0.000000 2.309476\n2.309476 2.309476 0.000000\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.0301599510943404,
"density_atomic": 0.04059099002843269,
"volume": 24.636009106935607,
"volume_molar": 14.83615146066081,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.28459597,
"energy_per_atom": -6.28459597,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.28459597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.317000Z",
"spacegroup": 225
},
{
"id": "mp-10641",
"created_at": "2022-09-04T14:46:00.561683Z",
"structure_string": "Sc1\n1.0\n-1.838692 1.838692 1.838692\n1.838692 -1.838692 1.838692\n1.838692 1.838692 -1.838692\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.0022645557526153,
"density_atomic": 0.04021731281916648,
"volume": 24.86491338932588,
"volume_molar": 14.974000841572915,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.23023766,
"energy_per_atom": -6.23023766,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23023766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0707755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.804000Z",
"spacegroup": 229
},
{
"id": "mp-567308",
"created_at": "2022-09-04T14:39:44.420730Z",
"structure_string": "Sc4\n1.0\n-3.077471 3.077471 2.702332\n3.077471 -3.077471 2.702332\n3.077471 3.077471 -2.702332\nSc\n4\ndirect\n0.664576 0.164576 0.829152 Sc\n0.335424 0.835424 0.170848 Sc\n0.835424 0.664576 0.500000 Sc\n0.164576 0.335424 0.500000 Sc\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 2.9168175716603804,
"density_atomic": 0.03907269414054031,
"volume": 102.37328364438929,
"volume_molar": 15.412658104247951,
"formula_full": "Sc4",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -24.50694226,
"energy_per_atom": -6.126735565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.50694226,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027389,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.036000Z",
"spacegroup": 140
}
]
}