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=12194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12192",
"results": [
{
"id": "mp-110",
"created_at": "2022-09-04T14:40:57.406985Z",
"structure_string": "Mg1\n1.0\n-1.789645 1.789645 1.789645\n1.789645 -1.789645 1.789645\n1.789645 1.789645 -1.789645\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7602893333027019,
"density_atomic": 0.043615347241879474,
"volume": 22.92770924083804,
"volume_molar": 13.807389235267943,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57447816,
"energy_per_atom": -1.57447816,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.57447816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.815000Z",
"spacegroup": 229
},
{
"id": "mp-639747",
"created_at": "2022-09-04T14:40:57.181822Z",
"structure_string": "Ba1\n1.0\n3.953643 0.000000 0.000000\n0.000000 3.953643 0.000000\n0.000000 0.000000 3.953643\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.6898836803357216,
"density_atomic": 0.016181085233557612,
"volume": 61.800552037518536,
"volume_molar": 37.21716234156414,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.6229062,
"energy_per_atom": -1.6229062,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.6229062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.748000Z",
"spacegroup": 221
},
{
"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-13",
"created_at": "2022-09-04T14:39:29.027124Z",
"structure_string": "Fe1\n1.0\n2.318956 0.000185 -0.819712\n-1.159251 2.008215 -0.819524\n0.000025 0.000273 2.459206\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 8.096264696014796,
"density_atomic": 0.08730745034733464,
"volume": 11.453776235839058,
"volume_molar": 6.897625272576577,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -8.47000845,
"energy_per_atom": -8.47000845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.47000845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1850741,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.624000Z",
"spacegroup": 229
},
{
"id": "mp-95",
"created_at": "2022-09-04T14:39:34.815180Z",
"structure_string": "Sr1\n1.0\n-2.376775 2.376775 2.376775\n2.376775 -2.376775 2.376775\n2.376775 2.376775 -2.376775\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sr"
],
"chemical_system": "Sr",
"density": 2.709119378588865,
"density_atomic": 0.01861983364430939,
"volume": 53.70617262768193,
"volume_molar": 32.34261312447596,
"formula_full": "Sr1",
"formula_reduced": "Sr",
"formula_anonymous": "A",
"energy": -1.67643704,
"energy_per_atom": -1.67643704,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.67643704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001281,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.579000Z",
"spacegroup": 229
},
{
"id": "mp-39",
"created_at": "2022-09-04T14:39:18.201038Z",
"structure_string": "Tl1\n1.0\n-1.981770 1.981770 1.981770\n1.981770 -1.981770 1.981770\n1.981770 1.981770 -1.981770\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.90121145338983,
"density_atomic": 0.03212034928955766,
"volume": 31.132911755884933,
"volume_molar": 18.748677686259782,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -2.36165298,
"energy_per_atom": -2.36165298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.36165298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.186000Z",
"spacegroup": 229
},
{
"id": "mp-6985",
"created_at": "2022-09-04T14:39:23.358114Z",
"structure_string": "Ti1\n1.0\n0.000000 2.054533 2.054533\n2.054533 0.000000 2.054533\n2.054533 2.054533 0.000000\nTi\n1\ndirect\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.5826421717129815,
"density_atomic": 0.057654158857469044,
"volume": 17.344802522783677,
"volume_molar": 10.445284224660641,
"formula_full": "Ti1",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -7.8335295,
"energy_per_atom": -7.8335295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.8335295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.064000Z",
"spacegroup": 225
},
{
"id": "mp-975519",
"created_at": "2022-09-04T14:39:18.207240Z",
"structure_string": "Rb1\n1.0\n-2.468885 2.468885 3.730519\n2.468885 -2.468885 3.730519\n2.468885 2.468885 -3.730519\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5603450688293747,
"density_atomic": 0.01099433662959577,
"volume": 90.95591973308235,
"volume_molar": 54.77493515878835,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96390686,
"energy_per_atom": -0.96390686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96390686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.326000Z",
"spacegroup": 139
},
{
"id": "mp-10654",
"created_at": "2022-09-04T14:40:09.085617Z",
"structure_string": "Te1\n1.0\n3.197462 0.000000 0.000000\n0.000000 3.197462 0.000000\n0.000000 0.000000 3.197462\nTe\n1\ndirect\n0.500000 0.500000 0.500000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.481620453792556,
"density_atomic": 0.030590306221883155,
"volume": 32.69009446151401,
"volume_molar": 19.686435030493374,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.09675431,
"energy_per_atom": -3.09675431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.09675431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.250000Z",
"spacegroup": 221
},
{
"id": "mp-1063988",
"created_at": "2022-09-04T14:40:05.531640Z",
"structure_string": "S1\n1.0\n-1.580627 1.580627 1.580627\n1.580627 -1.580627 1.580627\n1.580627 1.580627 -1.580627\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.3707936084368693,
"density_atomic": 0.06330701259918974,
"volume": 15.796038368311807,
"volume_molar": 9.512596650433442,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -2.99896608,
"energy_per_atom": -2.99896608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.99896608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.605000Z",
"spacegroup": 229
},
{
"id": "mp-1014212",
"created_at": "2022-09-04T14:40:19.364987Z",
"structure_string": "Si1\n1.0\n-1.545834 1.545834 1.545834\n1.545834 -1.545834 1.545834\n1.545834 1.545834 -1.545834\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.156332160571929,
"density_atomic": 0.06767861196292675,
"volume": 14.775716744128614,
"volume_molar": 8.898144606303141,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.89982253,
"energy_per_atom": -4.89982253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.89982253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.452000Z",
"spacegroup": 229
},
{
"id": "mp-568345",
"created_at": "2022-09-04T14:46:35.558540Z",
"structure_string": "Fe1\n1.0\n2.375663 0.000000 0.000000\n0.000000 2.375663 0.000000\n0.000000 0.000000 2.375663\nFe\n1\ndirect\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 6.916380718764021,
"density_atomic": 0.0745839703689511,
"volume": 13.407706710345558,
"volume_molar": 8.07430970784975,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -7.70860905,
"energy_per_atom": -7.70860905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.70860905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4121917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.812000Z",
"spacegroup": 221
}
]
}