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_full&page=41",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=39",
"results": [
{
"id": "mp-1215321",
"created_at": "2022-09-04T14:46:27.506545Z",
"structure_string": "Zr4 Mn4 Fe4\n1.0\n2.473143 -4.326735 0.000000\n2.473143 4.326735 0.000000\n0.000000 0.000000 8.058108\nZr Mn Fe\n4 4 4\ndirect\n0.333414 0.666586 0.315293 Zr\n0.666468 0.333532 0.188338 Zr\n0.666468 0.333532 0.811662 Zr\n0.333414 0.666586 0.684707 Zr\n0.663316 0.829453 0.000000 Mn\n0.170547 0.336684 0.000000 Mn\n0.999206 0.000794 0.254362 Mn\n0.999206 0.000794 0.745638 Mn\n0.830962 0.169038 0.500000 Fe\n0.340227 0.169848 0.500000 Fe\n0.830152 0.659773 0.500000 Fe\n0.168368 0.831632 0.000000 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Fe"
],
"chemical_system": "Fe-Mn-Zr",
"density": 7.780419252743843,
"density_atomic": 0.06958387999987245,
"volume": 172.4537349745659,
"volume_molar": 8.65450555503809,
"formula_full": "Zr4 Mn4 Fe4",
"formula_reduced": "ZrMnFe",
"formula_anonymous": "ABC",
"energy": -107.01118677,
"energy_per_atom": -8.9175988975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.01118677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5087701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.435000Z",
"spacegroup": 38
},
{
"id": "mp-1215296",
"created_at": "2022-09-04T14:47:23.472354Z",
"structure_string": "Zr4 Mn4 Cr4\n1.0\n2.510875 -4.377134 0.000000\n2.510875 4.377134 0.000000\n0.000000 0.000000 8.103221\nZr Mn Cr\n4 4 4\ndirect\n0.333508 0.666492 0.190462 Zr\n0.666923 0.333077 0.313982 Zr\n0.666923 0.333077 0.686018 Zr\n0.333508 0.666492 0.809538 Zr\n0.833015 0.166985 0.000000 Mn\n0.171318 0.340380 0.500000 Mn\n0.659620 0.828682 0.500000 Mn\n0.170219 0.829781 0.500000 Mn\n0.999226 0.000774 0.259540 Cr\n0.999226 0.000774 0.740460 Cr\n0.833593 0.665028 0.000000 Cr\n0.334972 0.166407 0.000000 Cr\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Cr"
],
"chemical_system": "Cr-Mn-Zr",
"density": 7.389556989710073,
"density_atomic": 0.0673718746632209,
"volume": 178.11586897330233,
"volume_molar": 8.938656954557862,
"formula_full": "Zr4 Mn4 Cr4",
"formula_reduced": "ZrMnCr",
"formula_anonymous": "ABC",
"energy": -110.70439314,
"energy_per_atom": -9.225366095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.70439314,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1083543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.328000Z",
"spacegroup": 38
},
{
"id": "mp-1215277",
"created_at": "2022-09-04T14:43:10.980114Z",
"structure_string": "Zr4 Mn4 Al4\n1.0\n-2.520524 -4.485758 0.000000\n-2.624286 4.545669 0.000000\n0.000000 0.000000 -8.454265\nZr Mn Al\n4 4 4\ndirect\n0.667998 0.334006 0.556838 Zr\n0.336603 0.668301 0.428899 Zr\n0.336603 0.668301 0.071101 Zr\n0.667998 0.334006 0.943162 Zr\n0.664445 0.832214 0.750000 Mn\n0.822979 0.650583 0.250000 Mn\n0.822983 0.172373 0.250000 Mn\n0.347767 0.173903 0.250000 Mn\n0.992326 0.996166 0.491094 Al\n0.992326 0.996166 0.008906 Al\n0.173984 0.343015 0.750000 Al\n0.173987 0.830966 0.750000 Al\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Al"
],
"chemical_system": "Al-Mn-Zr",
"density": 5.8560128445209365,
"density_atomic": 0.06110373758186467,
"volume": 196.38733201750244,
"volume_molar": 9.855601307418787,
"formula_full": "Zr4 Mn4 Al4",
"formula_reduced": "ZrMnAl",
"formula_anonymous": "ABC",
"energy": -90.08454181,
"energy_per_atom": -7.507045150833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.08454181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5457634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.359000Z",
"spacegroup": 38
},
{
"id": "mp-568992",
"created_at": "2022-09-04T14:42:51.243046Z",
"structure_string": "Zr4 Ir4\n1.0\n1.720109 -9.917572 0.000000\n1.720109 9.917572 0.000000\n0.000000 0.000000 4.380778\nZr Ir\n4 4\ndirect\n0.304835 0.695165 0.250000 Zr\n0.561073 0.438927 0.250000 Zr\n0.695165 0.304835 0.750000 Zr\n0.438927 0.561073 0.750000 Zr\n0.943195 0.056805 0.250000 Ir\n0.167970 0.832030 0.250000 Ir\n0.056805 0.943195 0.750000 Ir\n0.832030 0.167970 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 12.595899561828572,
"density_atomic": 0.053523858712301746,
"volume": 149.4660548112034,
"volume_molar": 11.251320261436778,
"formula_full": "Zr4 Ir4",
"formula_reduced": "ZrIr",
"formula_anonymous": "AB",
"energy": -76.43930323,
"energy_per_atom": -9.55491290375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.43930323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.616000Z",
"spacegroup": 63
},
{
"id": "mp-1077297",
"created_at": "2022-09-04T14:48:07.617329Z",
"structure_string": "Zr4 Ir2\n1.0\n-3.271627 3.271627 2.889464\n3.271627 -3.271627 2.889464\n3.271627 3.271627 -2.889464\nZr Ir\n4 2\ndirect\n0.671607 0.171607 0.843214 Zr\n0.328393 0.828393 0.156786 Zr\n0.828393 0.671607 0.500000 Zr\n0.171607 0.328393 0.500000 Zr\n0.750000 0.750000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Ir"
],
"chemical_system": "Ir-Zr",
"density": 10.058132932088222,
"density_atomic": 0.048500520988690426,
"volume": 123.71001130893228,
"volume_molar": 12.4166516920597,
"formula_full": "Zr4 Ir2",
"formula_reduced": "Zr2Ir",
"formula_anonymous": "AB2",
"energy": -55.87750611,
"energy_per_atom": -9.312917685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.87750611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006844,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.203000Z",
"spacegroup": 140
},
{
"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-607475",
"created_at": "2022-09-04T14:40:25.164391Z",
"structure_string": "Zr4 In5 Co2\n1.0\n3.306163 0.000000 0.000000\n0.000000 7.549714 0.000000\n0.000000 0.777325 9.071060\nZr In Co\n4 5 2\ndirect\n0.500000 0.799360 0.439942 Zr\n0.500000 0.181497 0.158348 Zr\n0.500000 0.200640 0.560058 Zr\n0.500000 0.818503 0.841652 Zr\n0.000000 0.542249 0.668470 In\n0.000000 0.158243 0.857598 In\n0.000000 0.500000 0.000000 In\n0.000000 0.841757 0.142402 In\n0.000000 0.457751 0.331530 In\n0.000000 0.075933 0.366163 Co\n0.000000 0.924067 0.633837 Co\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Zr",
"In",
"Co"
],
"chemical_system": "Co-In-Zr",
"density": 7.7508731722774185,
"density_atomic": 0.04858250280319861,
"volume": 226.41896496274734,
"volume_molar": 12.395698888537934,
"formula_full": "Zr4 In5 Co2",
"formula_reduced": "Zr4In5Co2",
"formula_anonymous": "A2B4C5",
"energy": -65.95804425,
"energy_per_atom": -5.996185840909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.95804425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.931000Z",
"spacegroup": 10
},
{
"id": "mp-19906",
"created_at": "2022-09-04T14:40:19.791644Z",
"structure_string": "Zr4 In2 Ni4\n1.0\n7.216720 0.000000 0.000000\n0.000000 7.216720 0.000000\n0.000000 0.000000 3.350824\nZr In Ni\n4 2 4\ndirect\n0.167759 0.667759 0.500000 Zr\n0.667759 0.832241 0.500000 Zr\n0.332241 0.167759 0.500000 Zr\n0.832241 0.332241 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.124769 0.375231 0.000000 Ni\n0.375231 0.875231 0.000000 Ni\n0.624769 0.124769 0.000000 Ni\n0.875231 0.624769 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ni"
],
"chemical_system": "In-Ni-Zr",
"density": 7.891005881157678,
"density_atomic": 0.05730185370838148,
"volume": 174.5144241038281,
"volume_molar": 10.509504266035897,
"formula_full": "Zr4 In2 Ni4",
"formula_reduced": "Zr2InNi2",
"formula_anonymous": "AB2C2",
"energy": -67.82727019,
"energy_per_atom": -6.782727018999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.82727019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015704,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.106000Z",
"spacegroup": 127
},
{
"id": "mp-1084767",
"created_at": "2022-09-04T14:43:39.289862Z",
"structure_string": "Zr4 In2 N2\n1.0\n1.660312 -2.875744 0.000000\n1.660312 2.875744 0.000000\n0.000000 0.000000 14.882171\nZr In N\n4 2 2\ndirect\n0.333333 0.666667 0.415669 Zr\n0.666667 0.333333 0.584331 Zr\n0.666667 0.333333 0.915669 Zr\n0.333333 0.666667 0.084331 Zr\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"In",
"N"
],
"chemical_system": "In-N-Zr",
"density": 7.274177776221645,
"density_atomic": 0.056292919355676194,
"volume": 142.11378787185487,
"volume_molar": 10.697865431263637,
"formula_full": "Zr4 In2 N2",
"formula_reduced": "Zr2InN",
"formula_anonymous": "ABC2",
"energy": -65.58708997999999,
"energy_per_atom": -8.198386247499998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.86508998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007574,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.001000Z",
"spacegroup": 194
},
{
"id": "mp-22150",
"created_at": "2022-09-04T14:44:00.226989Z",
"structure_string": "Zr4 In2 Co4\n1.0\n7.222988 0.000000 0.000000\n0.000000 7.222988 0.000000\n0.000000 0.000000 3.302394\nZr In Co\n4 2 4\ndirect\n0.668814 0.168814 0.500000 Zr\n0.168814 0.331186 0.500000 Zr\n0.831186 0.668814 0.500000 Zr\n0.331186 0.831186 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.373879 0.126121 0.000000 Co\n0.126121 0.626121 0.000000 Co\n0.626121 0.873879 0.000000 Co\n0.873879 0.373879 0.000000 Co\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"In",
"Co"
],
"chemical_system": "Co-In-Zr",
"density": 8.002082778554398,
"density_atomic": 0.058041326144509964,
"volume": 172.29103234309687,
"volume_molar": 10.37560848455842,
"formula_full": "Zr4 In2 Co4",
"formula_reduced": "Zr2InCo2",
"formula_anonymous": "AB2C2",
"energy": -71.56608406,
"energy_per_atom": -7.156608405999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.56608406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001451,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.700000Z",
"spacegroup": 127
},
{
"id": "mp-20004",
"created_at": "2022-09-04T14:39:24.620940Z",
"structure_string": "Zr4 In2 C2\n1.0\n1.686637 -2.921340 0.000000\n1.686637 2.921340 0.000000\n0.000000 0.000000 15.121656\nZr In C\n4 2 2\ndirect\n0.333333 0.666667 0.082182 Zr\n0.333333 0.666667 0.417818 Zr\n0.666667 0.333333 0.582182 Zr\n0.666667 0.333333 0.917818 Zr\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"In",
"C"
],
"chemical_system": "C-In-Zr",
"density": 6.89276096104965,
"density_atomic": 0.0536854884274419,
"volume": 149.0160606587816,
"volume_molar": 11.217446159848516,
"formula_full": "Zr4 In2 C2",
"formula_reduced": "Zr2InC",
"formula_anonymous": "ABC2",
"energy": -63.68889688,
"energy_per_atom": -7.96111211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.68889688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0103935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.872000Z",
"spacegroup": 194
}
]
}