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_uncorrected&page=10183",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10181",
"results": [
{
"id": "mp-1016884",
"created_at": "2022-09-04T14:41:59.375527Z",
"structure_string": "Ca1 Ge1 O3\n1.0\n3.783237 0.000000 0.000000\n0.000000 3.783237 0.000000\n0.000000 0.000000 3.783237\nCa Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\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": [
"Ca",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O",
"density": 4.928537978810958,
"density_atomic": 0.09233776514023595,
"volume": 54.1490255087543,
"volume_molar": 6.52186107261098,
"formula_full": "Ca1 Ge1 O3",
"formula_reduced": "CaGeO3",
"formula_anonymous": "ABC3",
"energy": -34.36856047,
"energy_per_atom": -6.873712094,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.30756047,
"band_gap": 0.5017000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.84e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.331000Z",
"spacegroup": 221
},
{
"id": "mp-1147747",
"created_at": "2022-09-04T14:42:20.820518Z",
"structure_string": "Na2 Li2 Cu1 I2 O2\n1.0\n-2.045706 2.045706 11.271686\n2.045706 -2.045706 11.271686\n2.045706 2.045706 -11.271686\nNa Li Cu I O\n2 2 1 2 2\ndirect\n0.945296 0.945296 0.000000 Na\n0.054704 0.054704 0.000000 Na\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Cu\n0.329170 0.329170 0.000000 I\n0.670830 0.670830 0.000000 I\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Na",
"Li",
"Cu",
"I",
"O"
],
"chemical_system": "Cu-I-Li-Na-O",
"density": 3.6013524537586634,
"density_atomic": 0.04769877199611671,
"volume": 188.6841028262261,
"volume_molar": 12.625358071042749,
"formula_full": "Na2 Li2 Cu1 I2 O2",
"formula_reduced": "Na2Li2Cu(IO)2",
"formula_anonymous": "AB2C2D2E2",
"energy": -34.438969879999995,
"energy_per_atom": -3.8265522088888884,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.30696988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.517000Z",
"spacegroup": 139
},
{
"id": "mp-1187168",
"created_at": "2022-09-04T14:42:26.993236Z",
"structure_string": "Sr1 Eu3\n1.0\n5.747866 0.000000 0.000000\n0.000000 5.747866 0.000000\n0.000000 0.000000 5.747866\nSr Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Eu"
],
"chemical_system": "Eu-Sr",
"density": 4.7526773293304,
"density_atomic": 0.021063963168415384,
"volume": 189.89778742102288,
"volume_molar": 28.58978014654893,
"formula_full": "Sr1 Eu3",
"formula_reduced": "SrEu3",
"formula_anonymous": "AB3",
"energy": -32.30646022,
"energy_per_atom": -8.076615055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.30646022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.786825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.774000Z",
"spacegroup": 221
},
{
"id": "mp-8256",
"created_at": "2022-09-04T14:45:52.952961Z",
"structure_string": "Zn1 Pt1 F6\n1.0\n4.875688 -2.564559 0.000000\n4.875688 2.564559 0.000000\n3.526757 0.000000 4.232172\nZn Pt F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Pt\n0.102642 0.385643 0.758296 F\n0.758296 0.102642 0.385643 F\n0.614357 0.241704 0.897358 F\n0.241704 0.897358 0.614357 F\n0.897358 0.614357 0.241704 F\n0.385643 0.758296 0.102642 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Pt",
"F"
],
"chemical_system": "F-Pt-Zn",
"density": 5.875431724312173,
"density_atomic": 0.07558716902850778,
"volume": 105.838068852437,
"volume_molar": 7.967146854949342,
"formula_full": "Zn1 Pt1 F6",
"formula_reduced": "ZnPtF6",
"formula_anonymous": "ABC6",
"energy": -35.07809864,
"energy_per_atom": -4.38476233,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.30609864,
"band_gap": 2.0919,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.081000Z",
"spacegroup": 148
},
{
"id": "mp-1417649",
"created_at": "2022-09-04T14:42:14.103026Z",
"structure_string": "Al1 W1 O3\n1.0\n4.035564 0.000000 0.000000\n0.000000 4.035564 0.000000\n0.000000 0.000000 4.035564\nAl W O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 W\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": [
"Al",
"W",
"O"
],
"chemical_system": "Al-O-W",
"density": 6.539337831097735,
"density_atomic": 0.07607768465166212,
"volume": 65.72229455843149,
"volume_molar": 7.915778178021129,
"formula_full": "Al1 W1 O3",
"formula_reduced": "AlWO3",
"formula_anonymous": "ABC3",
"energy": -38.80426992,
"energy_per_atom": -7.760853984000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.30526992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9991113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.876000Z",
"spacegroup": 221
},
{
"id": "mp-3078",
"created_at": "2022-09-04T14:39:09.559216Z",
"structure_string": "Cd2 Si2 As4\n1.0\n-2.991571 2.991571 5.551493\n2.991571 -2.991571 5.551493\n2.991571 2.991571 -5.551493\nCd Si As\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.585115 0.125000 0.960115 As\n0.875000 0.835115 0.460115 As\n0.375000 0.414885 0.539885 As\n0.164885 0.625000 0.039885 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Si",
"As"
],
"chemical_system": "As-Cd-Si",
"density": 4.851958749143242,
"density_atomic": 0.040255161191048494,
"volume": 198.73228086288108,
"volume_molar": 14.959922111401552,
"formula_full": "Cd2 Si2 As4",
"formula_reduced": "CdSiAs2",
"formula_anonymous": "ABC2",
"energy": -32.30455584,
"energy_per_atom": -4.03806948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.30455584,
"band_gap": 0.4001999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006112,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.728000Z",
"spacegroup": 122
},
{
"id": "mp-1080249",
"created_at": "2022-09-04T14:41:09.816634Z",
"structure_string": "Ce2 Se4\n1.0\n0.000000 6.251490 6.251490\n6.251490 0.000000 6.251490\n6.251490 6.251490 0.000000\nCe Se\n2 4\ndirect\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Ce\n0.125000 0.125000 0.625000 Se\n0.125000 0.625000 0.125000 Se\n0.625000 0.125000 0.125000 Se\n0.125000 0.125000 0.125000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 2.025663025846564,
"density_atomic": 0.012279215811034087,
"volume": 488.63055201036605,
"volume_molar": 49.043366064048755,
"formula_full": "Ce2 Se4",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -34.190064799999995,
"energy_per_atom": -5.6983441333333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.3020648,
"band_gap": 0.996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0280264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.889000Z",
"spacegroup": 227
},
{
"id": "mp-20933",
"created_at": "2022-09-04T14:40:19.944288Z",
"structure_string": "Ce1 Co2 Ge2\n1.0\n-2.042983 2.042983 4.959642\n2.042983 -2.042983 4.959642\n2.042983 2.042983 -4.959642\nCe Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.632380 0.632380 0.000000 Ge\n0.367620 0.367620 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Ge"
],
"chemical_system": "Ce-Co-Ge",
"density": 8.087177795479233,
"density_atomic": 0.06038515400897273,
"volume": 82.80180918735492,
"volume_molar": 9.972883002178252,
"formula_full": "Ce1 Co2 Ge2",
"formula_reduced": "Ce(CoGe)2",
"formula_anonymous": "AB2C2",
"energy": -32.30091561,
"energy_per_atom": -6.460183121999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.30091561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0191775,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.366000Z",
"spacegroup": 139
},
{
"id": "mp-569701",
"created_at": "2022-09-04T14:47:00.837312Z",
"structure_string": "Er2 Te6\n1.0\n2.049737 -14.357999 0.000000\n2.049737 14.357999 0.000000\n0.000000 0.000000 4.416301\nEr Te\n2 6\ndirect\n0.946360 0.053640 0.250000 Er\n0.053640 0.946360 0.750000 Er\n0.687229 0.312771 0.250000 Te\n0.554428 0.445572 0.250000 Te\n0.835865 0.164135 0.250000 Te\n0.445572 0.554428 0.750000 Te\n0.164135 0.835865 0.750000 Te\n0.312771 0.687229 0.750000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"Te"
],
"chemical_system": "Er-Te",
"density": 7.027609920391148,
"density_atomic": 0.03077579398689465,
"volume": 259.94455263791616,
"volume_molar": 19.567783572259504,
"formula_full": "Er2 Te6",
"formula_reduced": "ErTe3",
"formula_anonymous": "AB3",
"energy": -34.83020535,
"energy_per_atom": -4.35377566875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.29820535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0186468,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.586000Z",
"spacegroup": 63
},
{
"id": "mp-767",
"created_at": "2022-09-04T14:42:49.666964Z",
"structure_string": "Yb3 Ge5\n1.0\n3.475493 -6.019730 0.000000\n3.475493 6.019730 0.000000\n0.000000 0.000000 4.300096\nYb Ge\n3 5\ndirect\n0.000000 0.642774 0.500000 Yb\n0.357226 0.357226 0.500000 Yb\n0.642774 0.000000 0.500000 Yb\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n0.000000 0.268506 0.000000 Ge\n0.268506 0.000000 0.000000 Ge\n0.731494 0.731494 0.000000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Ge"
],
"chemical_system": "Ge-Yb",
"density": 8.14279766699918,
"density_atomic": 0.044461940110449565,
"volume": 179.92917043491357,
"volume_molar": 13.544484889863499,
"formula_full": "Yb3 Ge5",
"formula_reduced": "Yb3Ge5",
"formula_anonymous": "A3B5",
"energy": -32.2980516,
"energy_per_atom": -4.03725645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.2980516,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001009,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.175000Z",
"spacegroup": 189
},
{
"id": "mp-1111288",
"created_at": "2022-09-04T14:44:00.049488Z",
"structure_string": "Li3 In1 Cl6\n1.0\n0.000000 5.019447 5.019447\n5.019447 0.000000 5.019447\n5.019447 5.019447 0.000000\nLi In Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.749349 0.250651 0.250651 Cl\n0.250651 0.250651 0.749349 Cl\n0.250651 0.749349 0.749349 Cl\n0.250651 0.749349 0.250651 Cl\n0.749349 0.250651 0.749349 Cl\n0.749349 0.749349 0.250651 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"In",
"Cl"
],
"chemical_system": "Cl-In-Li",
"density": 2.2870650554972807,
"density_atomic": 0.03953687918567197,
"volume": 252.92841028342892,
"volume_molar": 15.231704889298404,
"formula_full": "Li3 In1 Cl6",
"formula_reduced": "Li3InCl6",
"formula_anonymous": "AB3C6",
"energy": -35.98173418,
"energy_per_atom": -3.5981734179999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.29773418,
"band_gap": 3.1326,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.603000Z",
"spacegroup": 225
},
{
"id": "mp-1186458",
"created_at": "2022-09-04T14:39:20.313725Z",
"structure_string": "Pa1 In1 Ru2\n1.0\n0.000000 3.347182 3.347182\n3.347182 0.000000 3.347182\n3.347182 3.347182 0.000000\nPa In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"In",
"Ru"
],
"chemical_system": "In-Pa-Ru",
"density": 12.132682368598937,
"density_atomic": 0.0533325087829978,
"volume": 75.00115954183623,
"volume_molar": 11.291688498103872,
"formula_full": "Pa1 In1 Ru2",
"formula_reduced": "PaInRu2",
"formula_anonymous": "ABC2",
"energy": -32.29676118,
"energy_per_atom": -8.074190295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.29676118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.279000Z",
"spacegroup": 225
}
]
}