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=energy&page=10158",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10156",
"results": [
{
"id": "mp-567545",
"created_at": "2022-09-04T14:48:19.556345Z",
"structure_string": "K1 In6 Au4\n1.0\n4.147090 -7.182971 0.000000\n4.147090 7.182971 0.000000\n0.000000 0.000000 4.506268\nK In Au\n1 6 4\ndirect\n0.000000 0.000000 0.000000 K\n0.931325 0.465663 0.000000 In\n0.196561 0.803439 0.500000 In\n0.534337 0.068675 0.000000 In\n0.534337 0.465663 0.000000 In\n0.196561 0.393121 0.500000 In\n0.606879 0.803439 0.500000 In\n0.409322 0.204661 0.500000 Au\n0.795339 0.204661 0.500000 Au\n0.795339 0.590678 0.500000 Au\n0.333333 0.666667 0.000000 Au\n",
"nsites": 11,
"nelements": 3,
"elements": [
"K",
"In",
"Au"
],
"chemical_system": "Au-In-K",
"density": 9.37599155540384,
"density_atomic": 0.040973031643392194,
"volume": 268.4692725629443,
"volume_molar": 14.697815900989603,
"formula_full": "K1 In6 Au4",
"formula_reduced": "K(In3Au2)2",
"formula_anonymous": "AB4C6",
"energy": -33.61514918,
"energy_per_atom": -3.055922652727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.61514918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039008,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:50.254000Z",
"spacegroup": 187
},
{
"id": "mp-1178645",
"created_at": "2022-09-04T14:47:00.506637Z",
"structure_string": "Zn1 In1 Cu3 Se4\n1.0\n5.857754 0.000000 0.000000\n0.000000 5.857754 0.000000\n0.000000 0.000000 5.857754\nZn In Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.257217 0.257217 0.257217 Se\n0.742783 0.742783 0.257217 Se\n0.257217 0.742783 0.742783 Se\n0.742783 0.257217 0.742783 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Zn",
"In",
"Cu",
"Se"
],
"chemical_system": "Cu-In-Se-Zn",
"density": 5.673171588242709,
"density_atomic": 0.04477639464493958,
"volume": 200.99876444646128,
"volume_molar": 13.449365023140816,
"formula_full": "Zn1 In1 Cu3 Se4",
"formula_reduced": "ZnInCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -33.61503898,
"energy_per_atom": -3.7350043311111114,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.72703898,
"band_gap": 0.7565,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.288000Z",
"spacegroup": 215
},
{
"id": "mp-1027953",
"created_at": "2022-09-04T14:43:09.587199Z",
"structure_string": "Y1 Mg14 Bi1\n1.0\n6.538470 0.068978 0.000000\n-3.209498 5.559014 0.000000\n0.000000 0.000000 10.482040\nY Mg Bi\n1 14 1\ndirect\n0.165546 0.332772 0.125000 Y\n0.165644 0.332822 0.625000 Mg\n0.165128 0.832564 0.625000 Mg\n0.666408 0.329811 0.125000 Mg\n0.666622 0.333850 0.625000 Mg\n0.666408 0.836596 0.125000 Mg\n0.666622 0.832771 0.625000 Mg\n0.337599 0.170813 0.383450 Mg\n0.337599 0.170813 0.866550 Mg\n0.337599 0.666787 0.383450 Mg\n0.337599 0.666787 0.866550 Mg\n0.831638 0.165819 0.378940 Mg\n0.831638 0.165819 0.871060 Mg\n0.828031 0.664016 0.377261 Mg\n0.828031 0.664016 0.872739 Mg\n0.167889 0.833944 0.125000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Y",
"density": 2.764516804066363,
"density_atomic": 0.041741023351509976,
"volume": 383.31594952190363,
"volume_molar": 14.427391272337239,
"formula_full": "Y1 Mg14 Bi1",
"formula_reduced": "YMg14Bi",
"formula_anonymous": "ABC14",
"energy": -33.61413532,
"energy_per_atom": -2.1008834575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.61413532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.609000Z",
"spacegroup": 38
},
{
"id": "mp-552131",
"created_at": "2022-09-04T14:46:25.121675Z",
"structure_string": "Cs2 Cl2 O4\n1.0\n3.384185 -3.422146 0.000000\n3.384185 3.422146 0.000000\n0.000000 0.000000 8.573595\nCs Cl O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.975824 0.024176 0.750000 Cl\n0.024176 0.975824 0.250000 Cl\n0.651239 0.965008 0.750000 O\n0.034992 0.348761 0.750000 O\n0.965008 0.651239 0.250000 O\n0.348761 0.034992 0.250000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Cl",
"O"
],
"chemical_system": "Cl-Cs-O",
"density": 3.350723326782109,
"density_atomic": 0.04028509542293359,
"volume": 198.58461090911905,
"volume_molar": 14.948805995806833,
"formula_full": "Cs2 Cl2 O4",
"formula_reduced": "CsClO2",
"formula_anonymous": "ABC2",
"energy": -33.61210735,
"energy_per_atom": -4.20151341875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.86410735,
"band_gap": 2.3389,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.890000Z",
"spacegroup": 63
},
{
"id": "mp-1224733",
"created_at": "2022-09-04T14:40:30.593543Z",
"structure_string": "Gd2 Zn1 Ag1\n1.0\n3.662943 0.000000 0.000000\n0.000000 3.662943 0.000000\n0.000000 0.000000 7.292520\nGd Zn Ag\n2 1 1\ndirect\n0.000000 0.000000 0.740416 Gd\n0.000000 0.000000 0.259584 Gd\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Zn",
"Ag"
],
"chemical_system": "Ag-Gd-Zn",
"density": 8.27813765471165,
"density_atomic": 0.04088104995851192,
"volume": 97.84484508248674,
"volume_molar": 14.730885743178225,
"formula_full": "Gd2 Zn1 Ag1",
"formula_reduced": "Gd2ZnAg",
"formula_anonymous": "ABC2",
"energy": -33.61187391,
"energy_per_atom": -8.4029684775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.61187391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.5484337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.717000Z",
"spacegroup": 123
},
{
"id": "mp-1221165",
"created_at": "2022-09-04T14:40:02.005054Z",
"structure_string": "Na4 H4 Pd1 Pt1\n1.0\n3.638652 0.000000 0.000000\n0.000000 3.638652 0.000000\n0.000000 0.000000 11.275515\nNa H Pd Pt\n4 4 1 1\ndirect\n0.500000 0.500000 0.138789 Na\n0.000000 0.000000 0.634499 Na\n0.000000 0.000000 0.365501 Na\n0.500000 0.500000 0.861211 Na\n0.500000 0.500000 0.351626 H\n0.000000 0.000000 0.849279 H\n0.000000 0.000000 0.150721 H\n0.500000 0.500000 0.648374 H\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"H",
"Pd",
"Pt"
],
"chemical_system": "H-Na-Pd-Pt",
"density": 4.421434127956165,
"density_atomic": 0.06698577239830447,
"volume": 149.2854324428618,
"volume_molar": 8.990178875883844,
"formula_full": "Na4 H4 Pd1 Pt1",
"formula_reduced": "Na4H4PdPt",
"formula_anonymous": "ABC4D4",
"energy": -33.61119259,
"energy_per_atom": -3.361119259,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.89519259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010343,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.485000Z",
"spacegroup": 123
},
{
"id": "mp-1026769",
"created_at": "2022-09-04T14:45:18.002579Z",
"structure_string": "Li1 Hf1 Mg14\n1.0\n6.393609 -0.000000 -0.000000\n-3.196804 5.537027 -0.000000\n-0.000000 -0.000000 10.141430\nLi Hf Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Li\n0.166667 0.333333 0.625000 Hf\n0.167780 0.833889 0.125000 Mg\n0.171137 0.835568 0.625000 Mg\n0.666111 0.332220 0.125000 Mg\n0.664432 0.328863 0.625000 Mg\n0.666111 0.833889 0.125000 Mg\n0.664432 0.835568 0.625000 Mg\n0.330941 0.169059 0.375169 Mg\n0.330941 0.169059 0.874831 Mg\n0.330941 0.661883 0.375169 Mg\n0.330941 0.661883 0.874831 Mg\n0.838117 0.169059 0.375169 Mg\n0.838117 0.169059 0.874831 Mg\n0.833333 0.666667 0.376208 Mg\n0.833333 0.666667 0.873792 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Hf",
"Mg"
],
"chemical_system": "Hf-Li-Mg",
"density": 2.4314536125043453,
"density_atomic": 0.044565426844451334,
"volume": 359.0227028643864,
"volume_molar": 13.513032829281189,
"formula_full": "Li1 Hf1 Mg14",
"formula_reduced": "LiHfMg14",
"formula_anonymous": "ABC14",
"energy": -33.60902062,
"energy_per_atom": -2.10056378875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.60902062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.188000Z",
"spacegroup": 187
},
{
"id": "mp-1185357",
"created_at": "2022-09-04T14:48:11.621421Z",
"structure_string": "Li1 La1 O3\n1.0\n3.822632 0.000000 0.000000\n0.000000 3.822632 0.000000\n0.000000 0.000000 3.822632\nLi La O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\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": [
"Li",
"La",
"O"
],
"chemical_system": "La-Li-O",
"density": 5.76256037230548,
"density_atomic": 0.08951226183318377,
"volume": 55.858268996912024,
"volume_molar": 6.727727170186965,
"formula_full": "Li1 La1 O3",
"formula_reduced": "LiLaO3",
"formula_anonymous": "ABC3",
"energy": -33.60753636,
"energy_per_atom": -6.721507271999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.54653636,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9983233,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:36.047000Z",
"spacegroup": 221
},
{
"id": "mp-23223",
"created_at": "2022-09-04T14:48:26.589226Z",
"structure_string": "Ti2 I6\n1.0\n3.872254 -6.706941 0.000000\n3.872254 6.706941 0.000000\n0.000000 0.000000 6.419591\nTi I\n2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.295883 0.000000 0.250000 I\n0.295883 0.295883 0.750000 I\n0.000000 0.704117 0.750000 I\n0.000000 0.295883 0.250000 I\n0.704117 0.704117 0.250000 I\n0.704117 0.000000 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"I"
],
"chemical_system": "I-Ti",
"density": 4.268602662494735,
"density_atomic": 0.023991881561677125,
"volume": 333.4461275758636,
"volume_molar": 25.100743951734607,
"formula_full": "Ti2 I6",
"formula_reduced": "TiI3",
"formula_anonymous": "AB3",
"energy": -33.60727018,
"energy_per_atom": -4.2009087725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.33327018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2536466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:29.188000Z",
"spacegroup": 193
},
{
"id": "mp-1208878",
"created_at": "2022-09-04T14:41:26.089943Z",
"structure_string": "Sm2 Fe1 P2 O1\n1.0\n3.328074 0.000000 0.000000\n0.000000 3.328074 0.000000\n0.000000 0.000000 14.567030\nSm Fe P O\n2 1 2 1\ndirect\n0.500000 0.500000 0.143135 Sm\n0.500000 0.500000 0.856865 Sm\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.656172 P\n0.500000 0.500000 0.343828 P\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sm",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Sm",
"density": 4.471918018215858,
"density_atomic": 0.03718726915606958,
"volume": 161.34553937851337,
"volume_molar": 16.194092485592176,
"formula_full": "Sm2 Fe1 P2 O1",
"formula_reduced": "Sm2FeP2O",
"formula_anonymous": "ABC2D2",
"energy": -33.60648147,
"energy_per_atom": -5.6010802449999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.66348147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1647621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.336000Z",
"spacegroup": 123
},
{
"id": "mp-1028035",
"created_at": "2022-09-04T14:39:14.423400Z",
"structure_string": "La1 Y1 Mg14\n1.0\n6.695239 0.000000 0.000000\n-3.347620 5.798247 0.000000\n-0.000000 0.000000 10.326489\nLa Y Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 La\n0.166667 0.333333 0.125000 Y\n0.171529 0.835764 0.125000 Mg\n0.173093 0.836546 0.625000 Mg\n0.664236 0.328471 0.125000 Mg\n0.663454 0.326907 0.625000 Mg\n0.664236 0.835764 0.125000 Mg\n0.663454 0.836546 0.625000 Mg\n0.337660 0.162340 0.372743 Mg\n0.337660 0.162340 0.877257 Mg\n0.337660 0.675320 0.372743 Mg\n0.337660 0.675320 0.877257 Mg\n0.824680 0.162340 0.372743 Mg\n0.824680 0.162340 0.877257 Mg\n0.833333 0.666667 0.376452 Mg\n0.833333 0.666667 0.873548 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Y",
"Mg"
],
"chemical_system": "La-Mg-Y",
"density": 2.3531202590405425,
"density_atomic": 0.03991209267024501,
"volume": 400.8810094773159,
"volume_molar": 15.088511669270565,
"formula_full": "La1 Y1 Mg14",
"formula_reduced": "LaYMg14",
"formula_anonymous": "ABC14",
"energy": -33.60439801,
"energy_per_atom": -2.100274875625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.60439801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.864000Z",
"spacegroup": 187
},
{
"id": "mp-863690",
"created_at": "2022-09-04T14:46:15.328529Z",
"structure_string": "Ti2 Mn1 Co1\n1.0\n0.000000 2.969002 2.969002\n2.969002 0.000000 2.969002\n2.969002 2.969002 0.000000\nTi Mn Co\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Co"
],
"chemical_system": "Co-Mn-Ti",
"density": 6.649511889613007,
"density_atomic": 0.07641850289311769,
"volume": 52.343344197603265,
"volume_molar": 7.8804746651774025,
"formula_full": "Ti2 Mn1 Co1",
"formula_reduced": "Ti2MnCo",
"formula_anonymous": "ABC2",
"energy": -33.60219457,
"energy_per_atom": -8.4005486425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.60219457,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0410014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.797000Z",
"spacegroup": 225
}
]
}