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=formula_anonymous&page=10162",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10160",
"results": [
{
"id": "mp-510376",
"created_at": "2022-09-04T14:45:23.853068Z",
"structure_string": "Ce1 B1 Rh3\n1.0\n4.244156 0.000000 0.000000\n0.000000 4.244156 0.000000\n0.000000 0.000000 4.244156\nCe B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"B",
"Rh"
],
"chemical_system": "B-Ce-Rh",
"density": 9.983807634140344,
"density_atomic": 0.06540274681827686,
"volume": 76.44938849269776,
"volume_molar": 9.207779570379001,
"formula_full": "Ce1 B1 Rh3",
"formula_reduced": "CeBRh3",
"formula_anonymous": "ABC3",
"energy": -38.51021805,
"energy_per_atom": -7.70204361,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.51021805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009993,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.786000Z",
"spacegroup": 221
},
{
"id": "mp-1076711",
"created_at": "2022-09-04T14:45:25.945875Z",
"structure_string": "Sr1 Cu1 O3\n1.0\n3.884508 0.000000 0.000000\n0.000000 3.884508 0.000000\n0.000000 0.000000 3.884508\nSr Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.642249841707655,
"density_atomic": 0.085302536202775,
"volume": 58.61490434603682,
"volume_molar": 7.05974409211539,
"formula_full": "Sr1 Cu1 O3",
"formula_reduced": "SrCuO3",
"formula_anonymous": "ABC3",
"energy": -29.33635364,
"energy_per_atom": -5.867270727999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.27535364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0174781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.525000Z",
"spacegroup": 221
},
{
"id": "mp-1070440",
"created_at": "2022-09-04T14:45:26.195050Z",
"structure_string": "V1 Pb1 O3\n1.0\n3.932572 0.000000 0.000000\n0.000000 3.932572 0.000000\n0.000000 0.000000 3.932572\nV Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Pb",
"O"
],
"chemical_system": "O-Pb-V",
"density": 8.35869929314855,
"density_atomic": 0.08221289779020582,
"volume": 60.81770785843361,
"volume_molar": 7.325055948480907,
"formula_full": "V1 Pb1 O3",
"formula_reduced": "VPbO3",
"formula_anonymous": "ABC3",
"energy": -37.7012076,
"energy_per_atom": -7.5402415199999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.9402076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9962929,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.335000Z",
"spacegroup": 221
},
{
"id": "mp-867749",
"created_at": "2022-09-04T14:45:25.605275Z",
"structure_string": "Ca2 Bi2 O6\n1.0\n5.404489 -2.969547 0.000000\n5.404489 2.969547 0.000000\n3.772844 0.000000 4.877741\nCa Bi O\n2 2 6\ndirect\n0.862386 0.862386 0.862386 Ca\n0.137614 0.137614 0.137614 Ca\n0.646736 0.646736 0.646736 Bi\n0.353264 0.353264 0.353264 Bi\n0.959640 0.267045 0.536670 O\n0.536670 0.959640 0.267045 O\n0.267045 0.536670 0.959640 O\n0.732955 0.463330 0.040360 O\n0.463330 0.040360 0.732955 O\n0.040360 0.732955 0.463330 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 6.3012212151781295,
"density_atomic": 0.06387139880213832,
"volume": 156.56459992332617,
"volume_molar": 9.428540587713554,
"formula_full": "Ca2 Bi2 O6",
"formula_reduced": "CaBiO3",
"formula_anonymous": "ABC3",
"energy": -63.91285753,
"energy_per_atom": -6.391285753,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.79085753,
"band_gap": 0.0804,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.820000Z",
"spacegroup": 148
},
{
"id": "mp-978926",
"created_at": "2022-09-04T14:45:23.781955Z",
"structure_string": "Sm1 Ge1 O3\n1.0\n3.946684 0.000000 0.000000\n0.000000 3.946684 0.000000\n0.000000 0.000000 3.946684\nSm Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sm",
"density": 7.320124011921715,
"density_atomic": 0.0813341512889801,
"volume": 61.47479159443134,
"volume_molar": 7.404196963466608,
"formula_full": "Sm1 Ge1 O3",
"formula_reduced": "SmGeO3",
"formula_anonymous": "ABC3",
"energy": -36.48004752,
"energy_per_atom": -7.296009504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.41904752,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.974000Z",
"spacegroup": 221
},
{
"id": "mp-973123",
"created_at": "2022-09-04T14:45:22.385648Z",
"structure_string": "Sc1 Pd1 O3\n1.0\n4.078754 0.000000 0.000000\n0.000000 4.078754 0.000000\n0.000000 0.000000 4.078754\nSc Pd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"O"
],
"chemical_system": "O-Pd-Sc",
"density": 4.879050636926505,
"density_atomic": 0.07368642153724794,
"volume": 67.8551067576614,
"volume_molar": 8.172660083589284,
"formula_full": "Sc1 Pd1 O3",
"formula_reduced": "ScPdO3",
"formula_anonymous": "ABC3",
"energy": -34.05885339,
"energy_per_atom": -6.811770678,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.99785339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9942532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.939000Z",
"spacegroup": 221
},
{
"id": "mp-38685",
"created_at": "2022-09-04T14:45:23.517050Z",
"structure_string": "Ce4 Sb4 O12\n1.0\n0.000000 5.492776 5.492776\n5.492776 0.000000 5.492776\n5.492776 5.492776 0.000000\nCe Sb O\n4 4 12\ndirect\n0.625000 0.125000 0.625000 Ce\n0.125000 0.625000 0.625000 Ce\n0.625000 0.625000 0.625000 Ce\n0.625000 0.625000 0.125000 Ce\n0.625000 0.125000 0.125000 Sb\n0.125000 0.125000 0.625000 Sb\n0.125000 0.625000 0.125000 Sb\n0.125000 0.125000 0.125000 Sb\n0.517861 0.982139 0.517861 O\n0.517861 0.982139 0.982139 O\n0.517861 0.517861 0.982139 O\n0.982139 0.982139 0.517861 O\n0.267861 0.732139 0.732139 O\n0.267861 0.732139 0.267861 O\n0.982139 0.517861 0.982139 O\n0.982139 0.517861 0.517861 O\n0.732139 0.732139 0.267861 O\n0.267861 0.267861 0.732139 O\n0.732139 0.267861 0.732139 O\n0.732139 0.267861 0.267861 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"O"
],
"chemical_system": "Ce-O-Sb",
"density": 6.209960621159653,
"density_atomic": 0.06034264386580774,
"volume": 331.44056538982215,
"volume_molar": 9.979908691757466,
"formula_full": "Ce4 Sb4 O12",
"formula_reduced": "CeSbO3",
"formula_anonymous": "ABC3",
"energy": -149.2822007,
"energy_per_atom": -7.464110035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.0382007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6919811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.483000Z",
"spacegroup": 227
},
{
"id": "mp-754208",
"created_at": "2022-09-04T14:45:23.517606Z",
"structure_string": "Er4 In4 O12\n1.0\n5.521226 0.000000 0.000000\n0.000000 5.840363 0.000000\n0.000000 0.000000 8.176804\nEr In O\n4 4 12\ndirect\n0.017916 0.937320 0.750000 Er\n0.482084 0.437320 0.750000 Er\n0.517916 0.562680 0.250000 Er\n0.982084 0.062680 0.250000 Er\n0.000000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.148145 0.423315 0.250000 O\n0.179787 0.183487 0.575158 O\n0.179787 0.183487 0.924842 O\n0.320213 0.683487 0.575158 O\n0.320213 0.683487 0.924842 O\n0.351855 0.923315 0.250000 O\n0.648145 0.076685 0.750000 O\n0.679787 0.316513 0.075158 O\n0.679787 0.316513 0.424842 O\n0.820213 0.816513 0.075158 O\n0.820213 0.816513 0.424842 O\n0.851855 0.576685 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"In",
"O"
],
"chemical_system": "Er-In-O",
"density": 8.31501488044752,
"density_atomic": 0.07585269970124099,
"volume": 263.6689277873229,
"volume_molar": 7.93925698586767,
"formula_full": "Er4 In4 O12",
"formula_reduced": "ErInO3",
"formula_anonymous": "ABC3",
"energy": -147.59942726,
"energy_per_atom": -7.379971363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.35542726,
"band_gap": 2.5532,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.274000Z",
"spacegroup": 62
},
{
"id": "mp-1226471",
"created_at": "2022-09-04T14:45:14.627527Z",
"structure_string": "Ce1 Zn1 Ga3\n1.0\n4.282760 0.000000 0.000000\n0.000000 4.282760 0.000000\n2.141380 2.141380 5.378332\nCe Zn Ga\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Zn\n0.384478 0.384478 0.231044 Ga\n0.615522 0.615522 0.768956 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ga"
],
"chemical_system": "Ce-Ga-Zn",
"density": 6.980423409697203,
"density_atomic": 0.050684471383867176,
"volume": 98.64954419928104,
"volume_molar": 11.881628821558238,
"formula_full": "Ce1 Zn1 Ga3",
"formula_reduced": "CeZnGa3",
"formula_anonymous": "ABC3",
"energy": -18.45698982,
"energy_per_atom": -3.691397964,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.45698982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0403335,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.721000Z",
"spacegroup": 119
},
{
"id": "mp-763901",
"created_at": "2022-09-04T14:45:23.856697Z",
"structure_string": "Na4 V4 O12\n1.0\n-3.114336 4.657698 5.450857\n3.114336 -4.657698 5.450857\n3.114336 4.657698 -5.450857\nNa V O\n4 4 12\ndirect\n0.707189 0.750000 0.457189 Na\n0.292811 0.750000 0.042811 Na\n0.292811 0.250000 0.542811 Na\n0.707189 0.250000 0.957189 Na\n0.135375 0.219924 0.915451 V\n0.304474 0.719924 0.584549 V\n0.695526 0.280076 0.415451 V\n0.864625 0.780076 0.084549 V\n0.168932 0.918932 0.750000 O\n0.168932 0.418932 0.250000 O\n0.599997 0.346093 0.253904 O\n0.266512 0.373031 0.893481 O\n0.092189 0.846093 0.246096 O\n0.479550 0.873031 0.606519 O\n0.520450 0.126969 0.393481 O\n0.907811 0.153907 0.753904 O\n0.733488 0.626969 0.106519 O\n0.400003 0.653907 0.746096 O\n0.831068 0.581068 0.750000 O\n0.831068 0.081068 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.560685252381771,
"density_atomic": 0.0632365872183687,
"volume": 316.272602298033,
"volume_molar": 9.523190647851271,
"formula_full": "Na4 V4 O12",
"formula_reduced": "NaVO3",
"formula_anonymous": "ABC3",
"energy": -147.73272418000002,
"energy_per_atom": -7.386636209000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.68872418,
"band_gap": 2.9798,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027199,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.143000Z",
"spacegroup": 72
},
{
"id": "mp-19840",
"created_at": "2022-09-04T14:45:23.673087Z",
"structure_string": "Gd1 B1 Rh3\n1.0\n4.224963 0.000000 0.000000\n0.000000 4.224963 0.000000\n0.000000 0.000000 4.224963\nGd B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"B",
"Rh"
],
"chemical_system": "B-Gd-Rh",
"density": 10.497747428035337,
"density_atomic": 0.06629812931231431,
"volume": 75.41690922297701,
"volume_molar": 9.083424860498194,
"formula_full": "Gd1 B1 Rh3",
"formula_reduced": "GdBRh3",
"formula_anonymous": "ABC3",
"energy": -46.62826743,
"energy_per_atom": -9.325653486,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.62826743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0683101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:07.618000Z",
"spacegroup": 221
},
{
"id": "mp-1372100",
"created_at": "2022-09-04T14:45:22.336580Z",
"structure_string": "Sr6 Cr6 O18\n1.0\n2.765769 -4.817957 0.000000\n2.765769 4.817957 0.000000\n0.000000 0.000000 13.685607\nSr Cr O\n6 6 18\ndirect\n0.666535 0.332703 0.907011 Sr\n0.003331 0.003136 0.750000 Sr\n0.003136 0.003331 0.250000 Sr\n0.666535 0.332703 0.592989 Sr\n0.332703 0.666535 0.407011 Sr\n0.332703 0.666535 0.092989 Sr\n0.676306 0.339133 0.155087 Cr\n0.005296 0.005296 0.000000 Cr\n0.005296 0.005296 0.500000 Cr\n0.676306 0.339133 0.344913 Cr\n0.339133 0.676306 0.844913 Cr\n0.339133 0.676306 0.655087 Cr\n0.319225 0.158965 0.418906 O\n0.319225 0.158965 0.081094 O\n0.512850 0.030155 0.250000 O\n0.825165 0.163867 0.417581 O\n0.825165 0.163867 0.082419 O\n0.513952 0.485334 0.250000 O\n0.984954 0.494162 0.250000 O\n0.828420 0.667229 0.418588 O\n0.828420 0.667229 0.081412 O\n0.158965 0.319225 0.918906 O\n0.158965 0.319225 0.581094 O\n0.030155 0.512850 0.750000 O\n0.485334 0.513952 0.750000 O\n0.163867 0.825165 0.917581 O\n0.163867 0.825165 0.582419 O\n0.494162 0.984954 0.750000 O\n0.667229 0.828420 0.581412 O\n0.667229 0.828420 0.918588 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sr",
"density": 5.124994466571006,
"density_atomic": 0.08225236051457022,
"volume": 364.7311738206685,
"volume_molar": 7.321541561026977,
"formula_full": "Sr6 Cr6 O18",
"formula_reduced": "SrCrO3",
"formula_anonymous": "ABC3",
"energy": -231.39364362,
"energy_per_atom": -7.713121454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.03364362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.8501638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.341000Z",
"spacegroup": 63
}
]
}