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=12178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12176",
"results": [
{
"id": "mp-1056059",
"created_at": "2022-09-04T14:47:21.082969Z",
"structure_string": "O1\n1.0\n1.784516 0.000000 0.000000\n0.000000 1.784516 0.000000\n0.000000 0.000000 3.089828\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.700085999486939,
"density_atomic": 0.10163067339171998,
"volume": 9.839549091106107,
"volume_molar": 5.925514964157105,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.39040623,
"energy_per_atom": -3.39040623,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39040623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.913000Z",
"spacegroup": 123
},
{
"id": "mp-974558",
"created_at": "2022-09-04T14:42:13.360169Z",
"structure_string": "Na1\n1.0\n0.000000 2.626732 2.626732\n2.626732 0.000000 2.626732\n2.626732 2.626732 0.000000\nNa\n1\ndirect\n0.000000 0.000000 0.000000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.053189255791349,
"density_atomic": 0.027588158324862336,
"volume": 36.24743588261939,
"volume_molar": 21.828716107420878,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -1.31163779,
"energy_per_atom": -1.31163779,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.31163779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.821000Z",
"spacegroup": 225
},
{
"id": "mp-8632",
"created_at": "2022-09-04T14:42:47.362829Z",
"structure_string": "V1\n1.0\n0.000000 1.909544 1.909544\n1.909544 0.000000 1.909544\n1.909544 1.909544 0.000000\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.0743780976875925,
"density_atomic": 0.07180934983535475,
"volume": 13.92576318115692,
"volume_molar": 8.386290606735237,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"energy": -8.83676567,
"energy_per_atom": -8.83676567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.83676567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.043000Z",
"spacegroup": 225
},
{
"id": "mp-108",
"created_at": "2022-09-04T14:41:08.150478Z",
"structure_string": "U1\n1.0\n-1.716436 1.716436 1.716436\n1.716436 -1.716436 1.716436\n1.716436 1.716436 -1.716436\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.540513392390526,
"density_atomic": 0.04943757555009057,
"volume": 20.227529138980362,
"volume_molar": 12.181302770194137,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -11.02285917,
"energy_per_atom": -11.02285917,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.02285917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035433,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.082000Z",
"spacegroup": 229
},
{
"id": "mp-982872",
"created_at": "2022-09-04T14:41:09.697362Z",
"structure_string": "Hg1\n1.0\n2.185404 -2.285153 0.000000\n2.185404 2.285153 0.000000\n-0.204050 0.000000 3.155357\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.568974755876773,
"density_atomic": 0.031730322394322705,
"volume": 31.515595321493592,
"volume_molar": 18.979135116123185,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.28320923,
"energy_per_atom": -0.28320923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.28320923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.569000Z",
"spacegroup": 166
},
{
"id": "mp-10157",
"created_at": "2022-09-04T14:41:13.641272Z",
"structure_string": "K1\n1.0\n0.000000 3.327867 3.327867\n3.327867 0.000000 3.327867\n3.327867 3.327867 0.000000\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8808036242463018,
"density_atomic": 0.013566634377869216,
"volume": 73.71024914117724,
"volume_molar": 44.38934957828385,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -1.09807417,
"energy_per_atom": -1.09807417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09807417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.917000Z",
"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-611517",
"created_at": "2022-09-04T14:45:53.284052Z",
"structure_string": "Xe1\n1.0\n0.000000 3.330738 3.330738\n3.330738 0.000000 3.330738\n3.330738 3.330738 0.000000\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.950117121282437,
"density_atomic": 0.013531582467449434,
"volume": 73.90118653199103,
"volume_molar": 44.504334762666616,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03039347,
"energy_per_atom": -0.03039347,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03039347,
"band_gap": 6.2094,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:08.257000Z",
"spacegroup": 225
},
{
"id": "mp-998861",
"created_at": "2022-09-04T14:45:58.407954Z",
"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 5.030849068090698,
"density_atomic": 0.037916100872080034,
"volume": 26.374019928203158,
"volume_molar": 15.882806041468449,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -0.97066589,
"energy_per_atom": -0.97066589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.97066589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0652367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.184000Z",
"spacegroup": 225
},
{
"id": "mp-101",
"created_at": "2022-09-04T14:40:55.109337Z",
"structure_string": "Ir1\n1.0\n0.000000 1.937864 1.937864\n1.937864 0.000000 1.937864\n1.937864 1.937864 0.000000\nIr\n1\ndirect\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ir"
],
"chemical_system": "Ir",
"density": 21.930120199359056,
"density_atomic": 0.06870686295691784,
"volume": 14.554586790362457,
"volume_molar": 8.764977035519932,
"formula_full": "Ir1",
"formula_reduced": "Ir",
"formula_anonymous": "A",
"energy": -8.83843042,
"energy_per_atom": -8.83843042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.83843042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003236,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.648000Z",
"spacegroup": 225
},
{
"id": "mp-1056027",
"created_at": "2022-09-04T14:41:05.189102Z",
"structure_string": "K1\n1.0\n10.140925 0.000000 0.000000\n0.000000 10.140925 0.000000\n0.000000 0.000000 4.220114\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.14959864075994236,
"density_atomic": 0.0023042026698664123,
"volume": 433.98960216376094,
"volume_molar": 261.35464726065686,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -0.61416936,
"energy_per_atom": -0.61416936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.61416936,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.92e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.210000Z",
"spacegroup": 123
},
{
"id": "mp-1010048",
"created_at": "2022-09-04T14:41:52.170840Z",
"structure_string": "Br1\n1.0\n-1.437199 1.437199 4.380070\n1.437199 -1.437199 4.380070\n1.437199 1.437199 -4.380070\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.6664246398216287,
"density_atomic": 0.027632815972377392,
"volume": 36.188856068799886,
"volume_molar": 21.793438518969317,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.43585196,
"energy_per_atom": -1.43585196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.43585196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.768000Z",
"spacegroup": 139
}
]
}