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_reduced&page=51",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=49",
"results": [
{
"id": "mp-1215362",
"created_at": "2022-09-04T14:40:42.450454Z",
"structure_string": "Zr1 In1 Au2\n1.0\n3.414013 0.000000 0.000000\n0.000000 3.414013 0.000000\n0.000000 0.000000 7.227561\nZr In Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.737023 Au\n0.000000 0.000000 0.262977 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Au"
],
"chemical_system": "Au-In-Zr",
"density": 11.826609167877818,
"density_atomic": 0.047482970967426534,
"volume": 84.24072711760206,
"volume_molar": 12.682737910673719,
"formula_full": "Zr1 In1 Au2",
"formula_reduced": "ZrInAu2",
"formula_anonymous": "ABC2",
"energy": -19.33952309,
"energy_per_atom": -4.8348807725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.33952309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0096987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.752000Z",
"spacegroup": 123
},
{
"id": "mp-961693",
"created_at": "2022-09-04T14:44:16.518590Z",
"structure_string": "Zr1 In1 Au1\n1.0\n0.000000 3.262649 3.262649\n3.262649 0.000000 3.262649\n3.262649 3.262649 0.000000\nZr In Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 In\n0.750000 0.750000 0.750000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"In",
"Au"
],
"chemical_system": "Au-In-Zr",
"density": 9.634347776679776,
"density_atomic": 0.0431897008586998,
"volume": 69.4610043680287,
"volume_molar": 13.943464854508122,
"formula_full": "Zr1 In1 Au1",
"formula_reduced": "ZrInAu",
"formula_anonymous": "ABC",
"energy": -15.96613387,
"energy_per_atom": -5.322044623333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.96613387,
"band_gap": 0.4412000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.922000Z",
"spacegroup": 216
},
{
"id": "mp-1095993",
"created_at": "2022-09-04T14:48:20.980489Z",
"structure_string": "Zr1 In1 Ag2\n1.0\n-5.693530 5.886436 8.323940\n5.693530 -5.886436 8.323940\n5.693530 5.886436 -8.323940\nZr In Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.250538 0.250538 Ag\n0.000000 0.749462 0.749461 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ag"
],
"chemical_system": "Ag-In-Zr",
"density": 0.627639778049726,
"density_atomic": 0.00358456961408816,
"volume": 1115.8940767335375,
"volume_molar": 168.00178008349013,
"formula_full": "Zr1 In1 Ag2",
"formula_reduced": "ZrInAg2",
"formula_anonymous": "ABC2",
"energy": -8.90366832,
"energy_per_atom": -2.22591708,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.90366832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8755774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:24.720000Z",
"spacegroup": 71
},
{
"id": "mp-570578",
"created_at": "2022-09-04T14:39:14.893430Z",
"structure_string": "Zr1 In3\n1.0\n-2.148402 2.148402 4.976351\n2.148402 -2.148402 4.976351\n2.148402 2.148402 -4.976351\nZr In\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.874312303471461,
"density_atomic": 0.04353693975467422,
"volume": 91.87600282747367,
"volume_molar": 13.832255537330111,
"formula_full": "Zr1 In3",
"formula_reduced": "ZrIn3",
"formula_anonymous": "AB3",
"energy": -17.64808838,
"energy_per_atom": -4.412022095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.64808838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001328,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.459000Z",
"spacegroup": 139
},
{
"id": "mp-1078602",
"created_at": "2022-09-04T14:39:35.887649Z",
"structure_string": "Zr2 In6\n1.0\n-2.189791 2.189791 9.600019\n2.189791 -2.189791 9.600019\n2.189791 2.189791 -9.600019\nZr In\n2 6\ndirect\n0.881149 0.881149 0.000000 Zr\n0.118851 0.118851 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.624782 0.624782 0.000000 In\n0.375218 0.375218 0.000000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.857914636292117,
"density_atomic": 0.04344627732974226,
"volume": 184.1354539833818,
"volume_molar": 13.86112028493035,
"formula_full": "Zr2 In6",
"formula_reduced": "ZrIn3",
"formula_anonymous": "AB3",
"energy": -35.25545697,
"energy_per_atom": -4.40693212125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.25545697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.47e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.381000Z",
"spacegroup": 139
},
{
"id": "mp-1094015",
"created_at": "2022-09-04T14:43:05.384656Z",
"structure_string": "Zr4 In8 O20\n1.0\n3.706228 0.000000 0.000000\n0.000000 7.502727 0.000000\n0.000000 0.000000 15.620891\nZr In O\n4 8 20\ndirect\n0.250000 0.111479 0.579379 Zr\n0.250000 0.611479 0.920621 Zr\n0.750000 0.888521 0.420621 Zr\n0.750000 0.388521 0.079379 Zr\n0.250000 0.094876 0.914349 In\n0.250000 0.594876 0.585651 In\n0.750000 0.905124 0.085651 In\n0.750000 0.405124 0.414349 In\n0.750000 0.321059 0.761075 In\n0.750000 0.821059 0.738925 In\n0.250000 0.678941 0.238925 In\n0.250000 0.178941 0.261075 In\n0.250000 0.248683 0.688929 O\n0.250000 0.748683 0.811071 O\n0.750000 0.751317 0.311071 O\n0.750000 0.251317 0.188929 O\n0.250000 0.356490 0.502645 O\n0.250000 0.856490 0.997355 O\n0.750000 0.643510 0.497355 O\n0.750000 0.143510 0.002645 O\n0.250000 0.359328 0.852022 O\n0.250000 0.859328 0.647978 O\n0.750000 0.640672 0.147978 O\n0.750000 0.140672 0.352022 O\n0.750000 0.056684 0.823780 O\n0.750000 0.556684 0.676220 O\n0.250000 0.943316 0.176220 O\n0.250000 0.443316 0.323780 O\n0.750000 0.067127 0.542173 O\n0.750000 0.567127 0.957827 O\n0.250000 0.932873 0.457827 O\n0.250000 0.432873 0.042173 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Zr",
"In",
"O"
],
"chemical_system": "In-O-Zr",
"density": 6.129731926533084,
"density_atomic": 0.07367037820550458,
"volume": 434.36725559811214,
"volume_molar": 8.17443985858353,
"formula_full": "Zr4 In8 O20",
"formula_reduced": "ZrIn2O5",
"formula_anonymous": "AB2C5",
"energy": -237.06575096,
"energy_per_atom": -7.4083047175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.32575096,
"band_gap": 1.5216999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.062000Z",
"spacegroup": 62
},
{
"id": "mp-20800",
"created_at": "2022-09-04T14:45:42.680345Z",
"structure_string": "Zr4 In8\n1.0\n-2.221176 2.221176 13.791690\n2.221176 -2.221176 13.791690\n2.221176 2.221176 -13.791690\nZr In\n4 8\ndirect\n0.827377 0.327377 0.500000 Zr\n0.077377 0.077377 0.000000 Zr\n0.922623 0.922623 0.000000 Zr\n0.672623 0.172623 0.500000 Zr\n0.000509 0.500509 0.500000 In\n0.250509 0.250509 0.000000 In\n0.749491 0.749491 0.000000 In\n0.499491 0.999491 0.500000 In\n0.162120 0.662120 0.500000 In\n0.412120 0.412120 0.000000 In\n0.587880 0.587880 0.000000 In\n0.337880 0.837880 0.500000 In\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.8303512765890435,
"density_atomic": 0.04408976899971404,
"volume": 272.1719862056394,
"volume_molar": 13.658816765492825,
"formula_full": "Zr4 In8",
"formula_reduced": "ZrIn2",
"formula_anonymous": "AB2",
"energy": -59.41136250000001,
"energy_per_atom": -4.9509468750000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.41136250000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.015729,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.479000Z",
"spacegroup": 141
},
{
"id": "mp-23052",
"created_at": "2022-09-04T14:43:14.349360Z",
"structure_string": "Zr2 I2 N2\n1.0\n3.772296 0.000000 0.000000\n0.000000 4.162897 0.000000\n0.000000 0.000000 9.882078\nZr I N\n2 2 2\ndirect\n0.000000 0.500000 0.913486 Zr\n0.500000 0.000000 0.086514 Zr\n0.500000 0.500000 0.678513 I\n0.000000 0.000000 0.321487 I\n0.000000 0.000000 0.975507 N\n0.500000 0.500000 0.024493 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"I",
"N"
],
"chemical_system": "I-N-Zr",
"density": 4.967871238532102,
"density_atomic": 0.03866353368987725,
"volume": 155.1849876973583,
"volume_molar": 15.575763995872668,
"formula_full": "Zr2 I2 N2",
"formula_reduced": "ZrIN",
"formula_anonymous": "ABC",
"energy": -46.53866713,
"energy_per_atom": -7.756444521666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.05866713,
"band_gap": 1.2172,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.14e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.099000Z",
"spacegroup": 59
},
{
"id": "mp-580886",
"created_at": "2022-09-04T14:46:19.832751Z",
"structure_string": "Zr2 I2 N2\n1.0\n10.890515 -1.879120 0.000000\n10.890515 1.879120 0.000000\n10.566280 0.000000 3.238541\nZr I N\n2 2 2\ndirect\n0.793879 0.793879 0.793879 Zr\n0.206121 0.206121 0.206121 Zr\n0.392252 0.392252 0.392252 I\n0.607748 0.607748 0.607748 I\n0.139472 0.139472 0.139472 N\n0.860528 0.860528 0.860528 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"I",
"N"
],
"chemical_system": "I-N-Zr",
"density": 5.816178268011491,
"density_atomic": 0.045265666844867665,
"volume": 132.55079220555646,
"volume_molar": 13.303992141856197,
"formula_full": "Zr2 I2 N2",
"formula_reduced": "ZrIN",
"formula_anonymous": "ABC",
"energy": -46.35954393,
"energy_per_atom": -7.726590655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.87954393,
"band_gap": 0.5200000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002076,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.059000Z",
"spacegroup": 166
},
{
"id": "mp-1207380",
"created_at": "2022-09-04T14:47:35.389592Z",
"structure_string": "Zr1 In1\n1.0\n3.163592 0.000000 0.000000\n0.000000 3.163592 0.000000\n0.000000 0.000000 4.457695\nZr In\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.668908687332732,
"density_atomic": 0.04482896458650614,
"volume": 44.614012802830054,
"volume_molar": 13.433593248354235,
"formula_full": "Zr1 In1",
"formula_reduced": "ZrIn",
"formula_anonymous": "AB",
"energy": -11.92832088,
"energy_per_atom": -5.96416044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.92832088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.552000Z",
"spacegroup": 123
},
{
"id": "mp-1215265",
"created_at": "2022-09-04T14:42:16.015463Z",
"structure_string": "Zr1 In1\n1.0\n5.206109 -1.618300 0.000000\n5.206109 1.618300 0.000000\n4.703067 0.000000 2.757469\nZr In\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.3636295032935015,
"density_atomic": 0.043044440831138286,
"volume": 46.46360741090643,
"volume_molar": 13.990519202292884,
"formula_full": "Zr1 In1",
"formula_reduced": "ZrIn",
"formula_anonymous": "AB",
"energy": -11.62159777,
"energy_per_atom": -5.810798885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.62159777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.311000Z",
"spacegroup": 166
},
{
"id": "mp-571235",
"created_at": "2022-09-04T14:46:59.145203Z",
"structure_string": "Zr6 I24\n1.0\n8.852047 0.000000 0.000000\n0.000000 8.940146 0.000000\n0.000000 4.077146 18.094602\nZr I\n6 24\ndirect\n0.878805 0.810263 0.582487 Zr\n0.121195 0.189737 0.417513 Zr\n0.610304 0.000000 0.750000 Zr\n0.878805 0.189737 0.917513 Zr\n0.121195 0.810263 0.082487 Zr\n0.389696 0.000000 0.250000 Zr\n0.108598 0.396820 0.907635 I\n0.589126 0.764031 0.258542 I\n0.116848 0.065546 0.575798 I\n0.357755 0.379460 0.427803 I\n0.126143 0.780064 0.241452 I\n0.126143 0.219936 0.258548 I\n0.116848 0.934454 0.924202 I\n0.410874 0.235969 0.741458 I\n0.891402 0.603180 0.092365 I\n0.873857 0.219936 0.758548 I\n0.410874 0.764031 0.758542 I\n0.891402 0.396820 0.407635 I\n0.589126 0.235969 0.241458 I\n0.659164 0.072010 0.591396 I\n0.340836 0.927990 0.408604 I\n0.873857 0.780064 0.741452 I\n0.108598 0.603180 0.592365 I\n0.642245 0.379460 0.927803 I\n0.340836 0.072010 0.091396 I\n0.883152 0.065546 0.075798 I\n0.642245 0.620540 0.572197 I\n0.659164 0.927990 0.908604 I\n0.357755 0.620540 0.072197 I\n0.883152 0.934454 0.424202 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 4.166536162586308,
"density_atomic": 0.020949993729059216,
"volume": 1431.9813355546614,
"volume_molar": 28.745310561343214,
"formula_full": "Zr6 I24",
"formula_reduced": "ZrI4",
"formula_anonymous": "AB4",
"energy": -124.69863682000002,
"energy_per_atom": -4.156621227333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.60263682,
"band_gap": 2.0134000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0618729,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.984000Z",
"spacegroup": 13
}
]
}