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=10132",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10130",
"results": [
{
"id": "mp-867920",
"created_at": "2022-09-04T14:43:16.178457Z",
"structure_string": "K2 Rh2 O5\n1.0\n3.890935 0.000000 0.000000\n0.000000 3.890935 0.000000\n0.000000 0.000000 8.720430\nK Rh O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.270408 Rh\n0.500000 0.500000 0.729592 Rh\n0.500000 0.000000 0.228449 O\n0.500000 0.000000 0.771551 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.228449 O\n0.000000 0.500000 0.771551 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Rh",
"O"
],
"chemical_system": "K-O-Rh",
"density": 4.5783618870457214,
"density_atomic": 0.06817052798009426,
"volume": 132.02186145056692,
"volume_molar": 8.833935922805907,
"formula_full": "K2 Rh2 O5",
"formula_reduced": "K2Rh2O5",
"formula_anonymous": "A2B2C5",
"energy": -52.795773870000005,
"energy_per_atom": -5.866197096666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.36077387,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9899099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.913000Z",
"spacegroup": 123
},
{
"id": "mp-1094747",
"created_at": "2022-09-04T14:42:53.278530Z",
"structure_string": "Mg4 Cd2\n1.0\n2.707848 -4.690130 0.000000\n2.707848 4.690130 0.000000\n0.000000 0.000000 5.197519\nMg Cd\n4 2\ndirect\n0.335458 0.335458 0.000000 Mg\n0.000000 0.664542 0.000000 Mg\n0.664542 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Cd\n0.333333 0.666667 0.500000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.050665381564832,
"density_atomic": 0.04544812870595597,
"volume": 132.0186368688421,
"volume_molar": 13.250580236124879,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.55136964,
"energy_per_atom": -1.4252282733333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.55136964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.892000Z",
"spacegroup": 189
},
{
"id": "mp-1183502",
"created_at": "2022-09-04T14:41:47.418932Z",
"structure_string": "Ca3 V1\n1.0\n-2.539491 2.539491 5.117672\n2.539491 -2.539491 5.117672\n2.539491 2.539491 -5.117672\nCa V\n3 1\ndirect\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"V"
],
"chemical_system": "Ca-V",
"density": 2.1531035023862093,
"density_atomic": 0.030299411695481237,
"volume": 132.01576453699093,
"volume_molar": 19.87543791451939,
"formula_full": "Ca3 V1",
"formula_reduced": "Ca3V",
"formula_anonymous": "AB3",
"energy": -13.17701738,
"energy_per_atom": -3.294254345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.17701738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0611094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.534000Z",
"spacegroup": 139
},
{
"id": "mp-1147566",
"created_at": "2022-09-04T14:43:40.557980Z",
"structure_string": "Sr2 Cu2 O2 F4\n1.0\n-2.899290 2.899290 3.926241\n2.899290 -2.899290 3.926241\n2.899290 2.899290 -3.926241\nSr Cu O F\n2 2 2 4\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.000000 O\n0.815978 0.315978 0.131957 F\n0.315978 0.184022 0.500000 F\n0.184022 0.684022 0.868043 F\n0.684022 0.815978 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-O-Sr",
"density": 5.161265423486702,
"density_atomic": 0.07574949459770276,
"volume": 132.01408211512037,
"volume_molar": 7.950073847994534,
"formula_full": "Sr2 Cu2 O2 F4",
"formula_reduced": "SrCuOF2",
"formula_anonymous": "ABCD2",
"energy": -54.88135572,
"energy_per_atom": -5.488135572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.65935572000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026166,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.485000Z",
"spacegroup": 140
},
{
"id": "mp-1407045",
"created_at": "2022-09-04T14:45:56.517028Z",
"structure_string": "Zn2 Ni2 F8\n1.0\n5.093453 0.000000 0.000000\n-0.007680 5.120456 0.000000\n-2.491747 -2.494735 5.061719\nZn Ni F\n2 2 8\ndirect\n0.749611 0.751786 0.499737 Zn\n0.250389 0.248214 0.500263 Zn\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.073003 0.163616 0.738732 F\n0.339417 0.434207 0.256624 F\n0.926997 0.836384 0.261268 F\n0.840045 0.336013 0.256306 F\n0.660583 0.565793 0.743376 F\n0.571957 0.068720 0.737923 F\n0.159955 0.663987 0.743694 F\n0.428043 0.931280 0.262077 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"F"
],
"chemical_system": "F-Ni-Zn",
"density": 5.033830113914244,
"density_atomic": 0.09089966289941316,
"volume": 132.01369088990836,
"volume_molar": 6.625041906551314,
"formula_full": "Zn2 Ni2 F8",
"formula_reduced": "ZnNiF4",
"formula_anonymous": "ABC4",
"energy": -57.0766593,
"energy_per_atom": -4.756388275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.2986593,
"band_gap": 1.422,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.139000Z",
"spacegroup": 2
},
{
"id": "mp-1120755",
"created_at": "2022-09-04T14:47:18.248452Z",
"structure_string": "Na2 C2 O6\n1.0\n5.894795 -2.585058 0.000000\n5.894795 2.585058 0.000000\n4.761163 0.000000 4.331566\nNa C O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.750000 0.750000 0.750000 C\n0.250000 0.250000 0.250000 C\n0.502267 0.750000 0.997733 O\n0.750000 0.997733 0.502267 O\n0.002267 0.497733 0.250000 O\n0.497733 0.250000 0.002267 O\n0.250000 0.002267 0.497733 O\n0.997733 0.502267 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"C",
"O"
],
"chemical_system": "C-Na-O",
"density": 2.0880278770726197,
"density_atomic": 0.07575059877442374,
"volume": 132.01215781513238,
"volume_molar": 7.949957963940612,
"formula_full": "Na2 C2 O6",
"formula_reduced": "NaCO3",
"formula_anonymous": "ABC3",
"energy": -68.70565966,
"energy_per_atom": -6.870565965999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.58365966,
"band_gap": 0.6623,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.567000Z",
"spacegroup": 167
},
{
"id": "mp-776150",
"created_at": "2022-09-04T14:40:41.667118Z",
"structure_string": "Sc2 Ag2 O6\n1.0\n4.029894 -5.085929 0.000000\n4.029894 5.085929 0.000000\n0.000000 0.000000 3.220464\nSc Ag O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.035741 0.312862 0.000000 O\n0.312862 0.035741 0.000000 O\n0.363754 0.636246 0.500000 O\n0.636246 0.363754 0.500000 O\n0.964259 0.687138 0.000000 O\n0.687138 0.964259 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"O"
],
"chemical_system": "Ag-O-Sc",
"density": 5.0521786055660085,
"density_atomic": 0.07575087253724384,
"volume": 132.01168072464614,
"volume_molar": 7.949929232879978,
"formula_full": "Sc2 Ag2 O6",
"formula_reduced": "ScAgO3",
"formula_anonymous": "ABC3",
"energy": -69.14838808,
"energy_per_atom": -6.914838808000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.02638808,
"band_gap": 0.3611999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.537000Z",
"spacegroup": 65
},
{
"id": "mp-8430",
"created_at": "2022-09-04T14:45:25.866764Z",
"structure_string": "K2 Li2 S2\n1.0\n4.334227 0.000000 0.000000\n0.000000 4.334227 0.000000\n0.000000 0.000000 7.027273\nK Li S\n2 2 2\ndirect\n0.500000 0.000000 0.659899 K\n0.000000 0.500000 0.340101 K\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.187746 S\n0.000000 0.500000 0.812254 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Li",
"S"
],
"chemical_system": "K-Li-S",
"density": 1.964915621862737,
"density_atomic": 0.04545075672070386,
"volume": 132.011003400233,
"volume_molar": 13.249814072417362,
"formula_full": "K2 Li2 S2",
"formula_reduced": "KLiS",
"formula_anonymous": "ABC",
"energy": -22.64650911,
"energy_per_atom": -3.774418185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.64050911,
"band_gap": 3.0571,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005264,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.670000Z",
"spacegroup": 129
},
{
"id": "mp-551451",
"created_at": "2022-09-04T14:42:07.648485Z",
"structure_string": "Fe1 Bi1 O3\n1.0\n5.430644 0.000000 0.000000\n2.288260 4.955744 0.000000\n2.113503 1.410659 4.904916\nFe Bi O\n1 1 3\ndirect\n0.271751 0.273533 0.283309 Fe\n0.008204 0.039124 0.010625 Bi\n0.009684 0.181800 0.598896 O\n0.604299 0.004128 0.187857 O\n0.220061 0.615416 0.033314 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O",
"density": 3.9351096205973217,
"density_atomic": 0.037877231848007495,
"volume": 132.00542267882287,
"volume_molar": 15.899104729103351,
"formula_full": "Fe1 Bi1 O3",
"formula_reduced": "FeBiO3",
"formula_anonymous": "ABC3",
"energy": -33.386349370000005,
"energy_per_atom": -6.677269874000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.06934937,
"band_gap": 1.6259,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.305000Z",
"spacegroup": 1
},
{
"id": "mp-1521653",
"created_at": "2022-09-04T14:40:05.944599Z",
"structure_string": "Eu2 Hf1 Ti1 O6\n1.0\n0.000000 -4.041209 -4.041209\n4.041209 0.000000 -4.041209\n4.041209 -4.041209 0.000000\nEu Hf Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.745075 0.254925 0.254925 O\n0.254925 0.745075 0.745075 O\n0.745075 0.254925 0.745075 O\n0.254925 0.745075 0.254925 O\n0.745075 0.745075 0.254925 O\n0.254925 0.254925 0.745075 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Hf",
"Ti",
"O"
],
"chemical_system": "Eu-Hf-O-Ti",
"density": 7.8787021220430615,
"density_atomic": 0.07575932033340056,
"volume": 131.99696032108181,
"volume_molar": 7.949042749456896,
"formula_full": "Eu2 Hf1 Ti1 O6",
"formula_reduced": "Eu2HfTiO6",
"formula_anonymous": "ABC2D6",
"energy": -104.33767048,
"energy_per_atom": -10.433767048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.21567048,
"band_gap": 0.0034999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9542585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.428000Z",
"spacegroup": 225
},
{
"id": "mp-747",
"created_at": "2022-09-04T14:44:26.718438Z",
"structure_string": "Ba2 Pt4\n1.0\n0.000000 4.041182 4.041182\n4.041182 0.000000 4.041182\n4.041182 4.041182 0.000000\nBa Pt\n2 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Ba\n0.125000 0.125000 0.125000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Pt"
],
"chemical_system": "Ba-Pt",
"density": 13.272178536079357,
"density_atomic": 0.04545650330168532,
"volume": 131.99431465678856,
"volume_molar": 13.248139039715197,
"formula_full": "Ba2 Pt4",
"formula_reduced": "BaPt2",
"formula_anonymous": "AB2",
"energy": -32.47947217,
"energy_per_atom": -5.413245361666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.47947217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.358000Z",
"spacegroup": 227
},
{
"id": "mp-1518671",
"created_at": "2022-09-04T14:46:29.377172Z",
"structure_string": "Sr1 Tb1 Eu1 Co1 O6\n1.0\n-0.000000 -4.041114 -4.041114\n4.041114 -0.000000 -4.041114\n4.041114 -4.041114 0.000000\nSr Tb Eu Co O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Co\n0.770279 0.229721 0.229721 O\n0.229721 0.770279 0.770279 O\n0.770279 0.229721 0.770279 O\n0.229721 0.770279 0.229721 O\n0.770279 0.770279 0.229721 O\n0.229721 0.229721 0.770279 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Tb",
"Eu",
"Co",
"O"
],
"chemical_system": "Co-Eu-O-Sr-Tb",
"density": 6.9628255189004555,
"density_atomic": 0.07576466339322953,
"volume": 131.98765165890802,
"volume_molar": 7.948482168717916,
"formula_full": "Sr1 Tb1 Eu1 Co1 O6",
"formula_reduced": "SrTbEuCoO6",
"formula_anonymous": "ABCDE6",
"energy": -79.48900937,
"energy_per_atom": -7.948900937,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.72900937,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9977569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.925000Z",
"spacegroup": 216
}
]
}