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-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-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-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-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-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-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-140",
"created_at": "2022-09-04T14:40:30.112435Z",
"structure_string": "Ga1\n1.0\n-1.398783 1.398783 2.431817\n1.398783 -1.398783 2.431817\n1.398783 1.398783 -2.431817\nGa\n1\ndirect\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.083220943531009,
"density_atomic": 0.052542221087422625,
"volume": 19.032313048512837,
"volume_molar": 11.461526816652903,
"formula_full": "Ga1",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -3.00392285,
"energy_per_atom": -3.00392285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.00392285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.202000Z",
"spacegroup": 139
},
{
"id": "mp-8638",
"created_at": "2022-09-04T14:40:30.936168Z",
"structure_string": "Tc1\n1.0\n0.000000 1.942519 1.942519\n1.942519 0.000000 1.942519\n1.942519 1.942519 0.000000\nTc\n1\ndirect\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tc"
],
"chemical_system": "Tc",
"density": 11.100674069024633,
"density_atomic": 0.06821410387515324,
"volume": 14.659724942369971,
"volume_molar": 8.828292710583487,
"formula_full": "Tc1",
"formula_reduced": "Tc",
"formula_anonymous": "A",
"energy": -10.29376611,
"energy_per_atom": -10.29376611,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.29376611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58Z",
"spacegroup": 225
},
{
"id": "mp-166",
"created_at": "2022-09-04T14:45:15.332479Z",
"structure_string": "Ca1\n1.0\n-2.245020 2.245020 2.097502\n2.245020 -2.245020 2.097502\n2.245020 2.245020 -2.097502\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5738101244536746,
"density_atomic": 0.023648151360468182,
"volume": 42.286603496274395,
"volume_molar": 25.465587851687253,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.98438209,
"energy_per_atom": -1.98438209,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.98438209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.720000Z",
"spacegroup": 139
},
{
"id": "mp-632250",
"created_at": "2022-09-04T14:45:20.751634Z",
"structure_string": "H1\n1.0\n-2.605000 2.605000 2.605000\n2.605000 -2.605000 2.605000\n2.605000 2.605000 -2.605000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.023670127850447698,
"density_atomic": 0.014142195147712436,
"volume": 70.7103805,
"volume_molar": 42.58278645641592,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.12145603,
"energy_per_atom": -1.12145603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.12145603,
"band_gap": 7.4222,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.478000Z",
"spacegroup": 229
},
{
"id": "mp-614502",
"created_at": "2022-09-04T14:45:16.611696Z",
"structure_string": "Gd1\n1.0\n0.000000 2.521600 2.521600\n2.521600 0.000000 2.521600\n2.521600 2.521600 0.000000\nGd\n1\ndirect\n0.000000 0.000000 0.000000 Gd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 8.14293875720926,
"density_atomic": 0.031184688974829945,
"volume": 32.067018555391996,
"volume_molar": 19.311209949410244,
"formula_full": "Gd1",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -14.02770758,
"energy_per_atom": -14.02770758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.02770758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4492425,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.128000Z",
"spacegroup": 225
},
{
"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
}
]
}