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=6",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=4",
"results": [
{
"id": "mp-689577",
"created_at": "2022-09-04T14:48:16.503225Z",
"structure_string": "Na1\n1.0\n7.046241 0.000000 0.000000\n0.000000 7.046241 0.000000\n0.000000 0.000000 7.046241\nNa\n1\ndirect\n0.500000 0.500000 0.500000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.10912172706669088,
"density_atomic": 0.0028584297327798594,
"volume": 349.8424287055982,
"volume_molar": 210.68003494853767,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -0.23878791,
"energy_per_atom": -0.23878791,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.23878791,
"band_gap": 1.1572999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9999907,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:48.306000Z",
"spacegroup": 221
},
{
"id": "mp-1182029",
"created_at": "2022-09-04T14:39:11.947349Z",
"structure_string": "C1\n1.0\n3.338824 0.000000 0.000000\n0.000000 1.282899 0.000000\n0.000000 0.446178 3.401506\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.3688636225225894,
"density_atomic": 0.0686345460208257,
"volume": 14.56992226183839,
"volume_molar": 8.774212272304835,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -8.22625635,
"energy_per_atom": -8.22625635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.22625635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.805000Z",
"spacegroup": 10
},
{
"id": "mp-9",
"created_at": "2022-09-04T14:39:20.088274Z",
"structure_string": "Y1\n1.0\n0.000000 2.531321 2.531321\n2.531321 0.000000 2.531321\n2.531321 2.531321 0.000000\nY\n1\ndirect\n0.000000 0.000000 0.000000 Y\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.551009834796982,
"density_atomic": 0.03082679242677842,
"volume": 32.439314027732784,
"volume_molar": 19.53541152328494,
"formula_full": "Y1",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -6.44250777,
"energy_per_atom": -6.44250777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.44250777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027099,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.668000Z",
"spacegroup": 225
},
{
"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-601148",
"created_at": "2022-09-04T14:43:09.869039Z",
"structure_string": "I1\n1.0\n-1.617456 1.617456 4.264808\n1.617456 -1.617456 4.264808\n1.617456 1.617456 -4.264808\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.721734801160363,
"density_atomic": 0.022406580015506803,
"volume": 44.6297471237438,
"volume_molar": 26.876661926239027,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.3921211,
"energy_per_atom": -1.3921211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.3921211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011958,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.155000Z",
"spacegroup": 139
},
{
"id": "mp-91",
"created_at": "2022-09-04T14:43:55.560345Z",
"structure_string": "W1\n1.0\n-1.593707 1.593707 1.593707\n1.593707 -1.593707 1.593707\n1.593707 1.593707 -1.593707\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
"nsites": 1,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.854007561757314,
"density_atomic": 0.06176103539286579,
"volume": 16.191438398643058,
"volume_molar": 9.750712114349747,
"formula_full": "W1",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -12.95812647,
"energy_per_atom": -12.95812647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.95812647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.617000Z",
"spacegroup": 229
},
{
"id": "mp-1055994",
"created_at": "2022-09-04T14:40:27.916559Z",
"structure_string": "In1\n1.0\n-1.654892 1.654892 2.508362\n1.654892 -1.654892 2.508362\n1.654892 1.654892 -2.508362\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.938563351301882,
"density_atomic": 0.03639238202037771,
"volume": 27.478278268239098,
"volume_molar": 16.547805957378486,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -2.72188849,
"energy_per_atom": -2.72188849,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.72188849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.47e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.508000Z",
"spacegroup": 139
},
{
"id": "mp-23158",
"created_at": "2022-09-04T14:43:57.501613Z",
"structure_string": "He1\n1.0\n-1.580307 1.580307 1.580307\n1.580307 -1.580307 1.580307\n1.580307 1.580307 -1.580307\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.4210242614550255,
"density_atomic": 0.06334547793493855,
"volume": 15.786446524676775,
"volume_molar": 9.506820307181636,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00905916,
"energy_per_atom": -0.00905916,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00905916,
"band_gap": 17.6377,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.038000Z",
"spacegroup": 229
},
{
"id": "mp-10661",
"created_at": "2022-09-04T14:40:43.658976Z",
"structure_string": "Tm1\n1.0\n-1.970482 1.970482 1.970482\n1.970482 -1.970482 1.970482\n1.970482 1.970482 -1.970482\nTm\n1\ndirect\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.166199288685815,
"density_atomic": 0.032675526389683796,
"volume": 30.603944618187285,
"volume_molar": 18.43012623019683,
"formula_full": "Tm1",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy": -4.33507765,
"energy_per_atom": -4.33507765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.33507765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0308901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.036000Z",
"spacegroup": 229
},
{
"id": "mp-10024",
"created_at": "2022-09-04T14:40:53.930711Z",
"structure_string": "Ce1\n1.0\n-1.887976 1.887976 1.887976\n1.887976 -1.887976 1.887976\n1.887976 1.887976 -1.887976\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.643456071208345,
"density_atomic": 0.037149297105028206,
"volume": 26.918409712377805,
"volume_molar": 16.21064523232903,
"formula_full": "Ce1",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -5.70483875,
"energy_per_atom": -5.70483875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.70483875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2594113,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.149000Z",
"spacegroup": 229
},
{
"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-1008669",
"created_at": "2022-09-04T14:42:04.436755Z",
"structure_string": "U1\n1.0\n0.000000 2.216057 2.216057\n2.216057 0.000000 2.216057\n2.216057 2.216057 0.000000\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.159589588452988,
"density_atomic": 0.04594383290806428,
"volume": 21.76570687955108,
"volume_molar": 13.107615056955694,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -10.91983266,
"energy_per_atom": -10.91983266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.91983266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0970341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.974000Z",
"spacegroup": 225
}
]
}