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=volume&page=1741",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=1739",
"results": [
{
"id": "mp-10497",
"created_at": "2022-09-04T14:45:11.039175Z",
"structure_string": "Sr2 C4\n1.0\n2.215047 3.543685 0.000000\n-2.215047 3.543685 0.000000\n0.000000 2.487071 7.497215\nSr C\n2 4\ndirect\n0.179600 0.820400 0.250000 Sr\n0.820400 0.179600 0.750000 Sr\n0.422114 0.123543 0.440563 C\n0.876457 0.577886 0.059437 C\n0.123543 0.422114 0.940563 C\n0.577886 0.876457 0.559437 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"C"
],
"chemical_system": "C-Sr",
"density": 3.1501871091707656,
"density_atomic": 0.050978051685986826,
"volume": 117.69771110435197,
"volume_molar": 11.813203056670378,
"formula_full": "Sr2 C4",
"formula_reduced": "SrC2",
"formula_anonymous": "AB2",
"energy": -40.17205266,
"energy_per_atom": -6.6953421099999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.17205266,
"band_gap": 2.2919,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.120000Z",
"spacegroup": 15
},
{
"id": "mp-1064814",
"created_at": "2022-09-04T14:42:00.184914Z",
"structure_string": "K2 C2\n1.0\n2.182303 3.781742 0.000000\n-2.182303 3.781742 0.000000\n0.000000 2.527413 7.130779\nK C\n2 2\ndirect\n0.755722 0.755722 0.750254 K\n0.244278 0.244278 0.249746 K\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"C"
],
"chemical_system": "C-K",
"density": 1.442123844706886,
"density_atomic": 0.03398490594290041,
"volume": 117.6993105916074,
"volume_molar": 17.720045393440465,
"formula_full": "K2 C2",
"formula_reduced": "KC",
"formula_anonymous": "AB",
"energy": -11.40724062,
"energy_per_atom": -2.851810155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.40724062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0023991,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.705000Z",
"spacegroup": 12
},
{
"id": "mp-978292",
"created_at": "2022-09-04T14:47:07.403885Z",
"structure_string": "Mg3 P3\n1.0\n3.581321 -3.359429 0.000000\n3.581321 3.359429 0.000000\n0.430036 0.000000 4.891492\nMg P\n3 3\ndirect\n0.376893 0.623107 0.000000 Mg\n0.623107 0.000000 0.376893 Mg\n0.000000 0.376893 0.623107 Mg\n0.122515 0.122515 0.122515 P\n0.500000 0.500000 0.500000 P\n0.877485 0.877485 0.877485 P\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.339637646742672,
"density_atomic": 0.05097663815607376,
"volume": 117.70097474121314,
"volume_molar": 11.813530624679835,
"formula_full": "Mg3 P3",
"formula_reduced": "MgP",
"formula_anonymous": "AB",
"energy": -23.45275011,
"energy_per_atom": -3.908791685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.45275011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016737,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.083000Z",
"spacegroup": 155
},
{
"id": "mp-1094632",
"created_at": "2022-09-04T14:46:07.452077Z",
"structure_string": "Mg3 Ga3\n1.0\n1.550072 -7.627397 0.000000\n1.550072 7.627397 0.000000\n0.000000 0.000000 4.977695\nMg Ga\n3 3\ndirect\n0.327840 0.672160 0.000000 Mg\n0.117666 0.882334 0.500000 Mg\n0.443985 0.556015 0.500000 Mg\n0.000613 0.999387 0.000000 Ga\n0.666117 0.333883 0.000000 Ga\n0.777111 0.222889 0.500000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.9796149135892103,
"density_atomic": 0.050975882053242716,
"volume": 117.70272054798752,
"volume_molar": 11.813705849582087,
"formula_full": "Mg3 Ga3",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -14.51133083,
"energy_per_atom": -2.4185551383333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.51133083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082829,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.394000Z",
"spacegroup": 38
},
{
"id": "mp-1076951",
"created_at": "2022-09-04T14:40:36.510678Z",
"structure_string": "Ce2 Ni2 Ge2\n1.0\n2.102493 -3.641624 0.000000\n2.102493 3.641624 0.000000\n0.000000 0.000000 7.686755\nCe Ni Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 7.658880323566977,
"density_atomic": 0.05097398121541666,
"volume": 117.70710972415374,
"volume_molar": 11.814146386860308,
"formula_full": "Ce2 Ni2 Ge2",
"formula_reduced": "CeNiGe",
"formula_anonymous": "ABC",
"energy": -37.10257135,
"energy_per_atom": -6.183761891666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.10257135,
"band_gap": 0.0567999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.48e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.461000Z",
"spacegroup": 194
},
{
"id": "mp-861621",
"created_at": "2022-09-04T14:39:31.503874Z",
"structure_string": "Eu2 Fe2 O5\n1.0\n3.961245 0.000000 0.000000\n0.000000 3.961245 0.000000\n0.000000 0.000000 7.501450\nEu Fe O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.240218 Fe\n0.500000 0.500000 0.759782 Fe\n0.500000 0.000000 0.211423 O\n0.500000 0.000000 0.788577 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.211423 O\n0.000000 0.500000 0.788577 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Eu",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-O",
"density": 6.991734246664832,
"density_atomic": 0.07645992761322994,
"volume": 117.70871724501504,
"volume_molar": 7.876205154761333,
"formula_full": "Eu2 Fe2 O5",
"formula_reduced": "Eu2Fe2O5",
"formula_anonymous": "A2B2C5",
"energy": -83.48670908,
"energy_per_atom": -9.276301008888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.53970908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.5400809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.005000Z",
"spacegroup": 123
},
{
"id": "mp-30041",
"created_at": "2022-09-04T14:47:06.655652Z",
"structure_string": "Rb1 Bi1 S2\n1.0\n7.834357 -2.095226 0.000000\n7.834357 2.095226 0.000000\n7.274008 0.000000 3.585516\nRb Bi S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.733726 0.733726 0.733726 S\n0.266274 0.266274 0.266274 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"S"
],
"chemical_system": "Bi-Rb-S",
"density": 5.058445640153108,
"density_atomic": 0.03398162150664773,
"volume": 117.71068661975096,
"volume_molar": 17.72175809450972,
"formula_full": "Rb1 Bi1 S2",
"formula_reduced": "RbBiS2",
"formula_anonymous": "ABC2",
"energy": -17.20615335,
"energy_per_atom": -4.3015383375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.20015335,
"band_gap": 1.339,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064516,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.797000Z",
"spacegroup": 166
},
{
"id": "mp-865856",
"created_at": "2022-09-04T14:47:26.311782Z",
"structure_string": "Pa1 Bi3\n1.0\n-2.317309 2.317309 5.480128\n2.317309 -2.317309 5.480128\n2.317309 2.317309 -5.480128\nPa Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.750000 0.250000 0.500000 Bi\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pa",
"Bi"
],
"chemical_system": "Bi-Pa",
"density": 12.103366748914974,
"density_atomic": 0.033981410439103174,
"volume": 117.71141775201626,
"volume_molar": 17.721868169045116,
"formula_full": "Pa1 Bi3",
"formula_reduced": "PaBi3",
"formula_anonymous": "AB3",
"energy": -21.6305126,
"energy_per_atom": -5.40762815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.6305126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0124253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.188000Z",
"spacegroup": 139
},
{
"id": "mp-30302",
"created_at": "2022-09-04T14:41:45.407202Z",
"structure_string": "Hf2 Br2 N2\n1.0\n10.347978 -1.816824 0.000000\n10.347978 1.816824 0.000000\n10.028993 0.000000 3.130623\nHf Br N\n2 2 2\ndirect\n0.791579 0.791579 0.791579 Hf\n0.208421 0.208421 0.208421 Hf\n0.606088 0.606088 0.606088 Br\n0.393912 0.393912 0.393912 Br\n0.861449 0.861449 0.861449 N\n0.138551 0.138551 0.138551 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Br",
"N"
],
"chemical_system": "Br-Hf-N",
"density": 7.685253372876929,
"density_atomic": 0.050970879594351544,
"volume": 117.71427230117692,
"volume_molar": 11.814865287644276,
"formula_full": "Hf2 Br2 N2",
"formula_reduced": "HfBrN",
"formula_anonymous": "ABC",
"energy": -51.82933250000001,
"energy_per_atom": -8.638222083333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.0393325,
"band_gap": 1.9205,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.525000Z",
"spacegroup": 166
},
{
"id": "mp-1180861",
"created_at": "2022-09-04T14:43:11.545063Z",
"structure_string": "K2 Pd1\n1.0\n5.667087 0.000000 0.000000\n0.000000 5.667087 0.000000\n0.000000 0.000000 3.665316\nK Pd\n2 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Pd"
],
"chemical_system": "K-Pd",
"density": 2.6042859233366604,
"density_atomic": 0.02548531889609024,
"volume": 117.71483073183113,
"volume_molar": 23.629842673555363,
"formula_full": "K2 Pd1",
"formula_reduced": "K2Pd",
"formula_anonymous": "AB2",
"energy": -7.004870630000001,
"energy_per_atom": -2.334956876666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.004870630000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.863000Z",
"spacegroup": 123
},
{
"id": "mp-5787",
"created_at": "2022-09-04T14:48:09.235668Z",
"structure_string": "Sr2 Cu2 O4\n1.0\n1.822219 -8.127319 0.000000\n1.822219 8.127319 0.000000\n0.000000 0.000000 3.974263\nSr Cu O\n2 2 4\ndirect\n0.667410 0.332590 0.250000 Sr\n0.332590 0.667410 0.750000 Sr\n0.062165 0.937835 0.750000 Cu\n0.937835 0.062165 0.250000 Cu\n0.820381 0.179619 0.250000 O\n0.179619 0.820381 0.750000 O\n0.944842 0.055158 0.750000 O\n0.055158 0.944842 0.250000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.167573150857569,
"density_atomic": 0.0679603349831744,
"volume": 117.71572347282628,
"volume_molar": 8.86125820523245,
"formula_full": "Sr2 Cu2 O4",
"formula_reduced": "SrCuO2",
"formula_anonymous": "ABC2",
"energy": -47.99174469,
"energy_per_atom": -5.99896808625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.24374469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:32.606000Z",
"spacegroup": 63
},
{
"id": "mp-754915",
"created_at": "2022-09-04T14:43:49.181491Z",
"structure_string": "Na2 Fe2 O6\n1.0\n2.540997 -4.401112 0.000014\n5.081823 -0.000098 -0.000004\n2.540878 1.466952 5.263614\nNa Fe O\n2 2 6\ndirect\n0.639198 0.721605 0.917590 Na\n0.360788 0.278419 0.082389 Na\n0.836348 0.327290 0.509074 Fe\n0.163650 0.672712 0.490918 Fe\n0.439252 0.739000 0.298499 O\n0.178254 0.859245 0.701512 O\n0.962503 0.476745 0.701507 O\n0.037503 0.523244 0.298503 O\n0.821749 0.140745 0.298497 O\n0.560752 0.260994 0.701512 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.5780754547836087,
"density_atomic": 0.08494508237241169,
"volume": 117.72311852213568,
"volume_molar": 7.089451904464642,
"formula_full": "Na2 Fe2 O6",
"formula_reduced": "NaFeO3",
"formula_anonymous": "ABC3",
"energy": -63.14208284,
"energy_per_atom": -6.314208284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.50808284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.362000Z",
"spacegroup": 148
}
]
}