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=structure_string&page=11477",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=11475",
"results": [
{
"id": "mp-1207784",
"created_at": "2022-09-04T14:44:13.689069Z",
"structure_string": "Y10 Co4 Te4\n1.0\n1.969160 -7.550703 0.000000\n1.969160 7.550703 0.000000\n0.000000 0.000000 15.021069\nY Co Te\n10 4 4\ndirect\n0.960777 0.039223 0.124339 Y\n0.039223 0.960777 0.875661 Y\n0.039223 0.960777 0.624339 Y\n0.960777 0.039223 0.375661 Y\n0.742315 0.257685 0.628913 Y\n0.257685 0.742315 0.371087 Y\n0.257685 0.742315 0.128913 Y\n0.742315 0.257685 0.871087 Y\n0.604847 0.395153 0.250000 Y\n0.395153 0.604847 0.750000 Y\n0.409369 0.590631 0.250000 Co\n0.590631 0.409369 0.750000 Co\n0.820932 0.179068 0.250000 Co\n0.179068 0.820932 0.750000 Co\n0.616830 0.383170 0.038654 Te\n0.383170 0.616830 0.961346 Te\n0.383170 0.616830 0.538654 Te\n0.616830 0.383170 0.461346 Te\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Co",
"Te"
],
"chemical_system": "Co-Te-Y",
"density": 6.078808050057713,
"density_atomic": 0.04029705193732134,
"volume": 446.6828002206583,
"volume_molar": 14.94437054444313,
"formula_full": "Y10 Co4 Te4",
"formula_reduced": "Y5(CoTe)2",
"formula_anonymous": "A2B2C5",
"energy": -120.68887905,
"energy_per_atom": -6.704937725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.00087905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.96e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.513000Z",
"spacegroup": 63
},
{
"id": "mp-1207788",
"created_at": "2022-09-04T14:40:09.154483Z",
"structure_string": "Y10 Co8 Ge20\n1.0\n12.797665 0.000000 0.000000\n0.000000 12.797665 0.000000\n0.000000 0.000000 4.199830\nY Co Ge\n10 8 20\ndirect\n0.111903 0.611903 0.500000 Y\n0.888097 0.388097 0.500000 Y\n0.611903 0.888097 0.500000 Y\n0.388097 0.111903 0.500000 Y\n0.677341 0.177341 0.500000 Y\n0.322659 0.822659 0.500000 Y\n0.177341 0.322659 0.500000 Y\n0.822659 0.677341 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.025501 0.244755 0.000000 Co\n0.974499 0.755245 0.000000 Co\n0.244755 0.974499 0.000000 Co\n0.525501 0.255245 0.000000 Co\n0.755245 0.025501 0.000000 Co\n0.474499 0.744755 0.000000 Co\n0.744755 0.525501 0.000000 Co\n0.255245 0.474499 0.000000 Co\n0.568610 0.068610 0.000000 Ge\n0.431390 0.931390 0.000000 Ge\n0.068610 0.431390 0.000000 Ge\n0.931390 0.568610 0.000000 Ge\n0.197865 0.154818 0.000000 Ge\n0.802135 0.845182 0.000000 Ge\n0.154818 0.802135 0.000000 Ge\n0.697865 0.345182 0.000000 Ge\n0.845182 0.197865 0.000000 Ge\n0.302135 0.654818 0.000000 Ge\n0.654818 0.697865 0.000000 Ge\n0.345182 0.302135 0.000000 Ge\n0.003723 0.167027 0.500000 Ge\n0.996277 0.832973 0.500000 Ge\n0.167027 0.996277 0.500000 Ge\n0.503723 0.332973 0.500000 Ge\n0.832973 0.003723 0.500000 Ge\n0.496277 0.667027 0.500000 Ge\n0.667027 0.503723 0.500000 Ge\n0.332973 0.496277 0.500000 Ge\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Y",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Y",
"density": 6.791655852426284,
"density_atomic": 0.05524467333973177,
"volume": 687.8491210603382,
"volume_molar": 10.900853233335887,
"formula_full": "Y10 Co8 Ge20",
"formula_reduced": "Y5(Co2Ge5)2",
"formula_anonymous": "A4B5C10",
"energy": -237.11550398,
"energy_per_atom": -6.23988168368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.11550398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.518000Z",
"spacegroup": 127
},
{
"id": "mp-646750",
"created_at": "2022-09-04T14:42:25.692000Z",
"structure_string": "Y10 Cu2 Pb6\n1.0\n4.475249 -7.751358 0.000000\n4.475249 7.751358 0.000000\n0.000000 0.000000 6.778460\nY Cu Pb\n10 2 6\ndirect\n0.000000 0.748063 0.750000 Y\n0.333333 0.666667 0.500000 Y\n0.333333 0.666667 0.000000 Y\n0.748063 0.748063 0.250000 Y\n0.251937 0.251937 0.750000 Y\n0.000000 0.251937 0.250000 Y\n0.666667 0.333333 0.500000 Y\n0.251937 0.000000 0.250000 Y\n0.748063 0.000000 0.750000 Y\n0.666667 0.333333 0.000000 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.391350 0.000000 0.750000 Pb\n0.391350 0.391350 0.250000 Pb\n0.608650 0.608650 0.750000 Pb\n0.000000 0.608650 0.250000 Pb\n0.000000 0.391350 0.750000 Pb\n0.608650 0.000000 0.250000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Pb"
],
"chemical_system": "Cu-Pb-Y",
"density": 7.977681142773031,
"density_atomic": 0.03827511217679723,
"volume": 470.27948388122,
"volume_molar": 15.733829158182544,
"formula_full": "Y10 Cu2 Pb6",
"formula_reduced": "Y5CuPb3",
"formula_anonymous": "AB3C5",
"energy": -104.23279686,
"energy_per_atom": -5.790710936666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.23279686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0223653,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.918000Z",
"spacegroup": 193
},
{
"id": "mp-1178773",
"created_at": "2022-09-04T14:46:52.996609Z",
"structure_string": "Y10 Fe20\n1.0\n-5.745074 5.745074 3.653431\n5.745074 -5.745074 3.653431\n5.745074 5.745074 -3.653431\nY Fe\n10 20\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Y\n0.046719 0.147185 0.699012 Y\n0.448173 0.347708 0.300988 Y\n0.652292 0.953281 0.100466 Y\n0.852815 0.551827 0.899534 Y\n0.204544 0.601744 0.800887 Y\n0.800857 0.403657 0.199113 Y\n0.596343 0.795456 0.397200 Y\n0.398256 0.199143 0.602800 Y\n0.722555 0.675342 0.149820 Fe\n0.525522 0.572736 0.850180 Fe\n0.427264 0.277445 0.952786 Fe\n0.324658 0.474478 0.047214 Fe\n0.723612 0.173486 0.647903 Fe\n0.525583 0.075709 0.352097 Fe\n0.924291 0.276388 0.449874 Fe\n0.826514 0.474417 0.550126 Fe\n0.923319 0.772920 0.452420 Fe\n0.320501 0.470899 0.547580 Fe\n0.529101 0.076681 0.849602 Fe\n0.227080 0.679499 0.150398 Fe\n0.923361 0.273485 0.945541 Fe\n0.327944 0.977820 0.054459 Fe\n0.022180 0.076639 0.350125 Fe\n0.726515 0.672056 0.649875 Fe\n0.123706 0.377049 0.245545 Fe\n0.131504 0.878161 0.754455 Fe\n0.121839 0.876294 0.253343 Fe\n0.622951 0.868496 0.746657 Fe\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Y",
"Fe"
],
"chemical_system": "Fe-Y",
"density": 6.905877756687868,
"density_atomic": 0.06219695163658573,
"volume": 482.33875150809297,
"volume_molar": 9.682372851947994,
"formula_full": "Y10 Fe20",
"formula_reduced": "YFe2",
"formula_anonymous": "AB2",
"energy": -235.87687346,
"energy_per_atom": -7.862562448666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -235.87687346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.2090986,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.674000Z",
"spacegroup": 82
},
{
"id": "mp-18706",
"created_at": "2022-09-04T14:39:41.623668Z",
"structure_string": "Y10 Fe4 Te4\n1.0\n1.981128 -7.572957 0.000000\n1.981128 7.572957 0.000000\n0.000000 0.000000 15.250443\nY Fe Te\n10 4 4\ndirect\n0.961893 0.038107 0.380683 Y\n0.038107 0.961893 0.619317 Y\n0.038107 0.961893 0.880683 Y\n0.961893 0.038107 0.119317 Y\n0.742797 0.257203 0.628690 Y\n0.257203 0.742797 0.371310 Y\n0.257203 0.742797 0.128690 Y\n0.742797 0.257203 0.871310 Y\n0.396712 0.603288 0.750000 Y\n0.603288 0.396712 0.250000 Y\n0.830156 0.169844 0.250000 Fe\n0.169844 0.830156 0.750000 Fe\n0.405829 0.594171 0.250000 Fe\n0.594171 0.405829 0.750000 Fe\n0.617702 0.382298 0.039505 Te\n0.382298 0.617702 0.960495 Te\n0.382298 0.617702 0.539505 Te\n0.617702 0.382298 0.460495 Te\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Fe",
"Te"
],
"chemical_system": "Fe-Te-Y",
"density": 5.888896449925444,
"density_atomic": 0.0393352598170351,
"volume": 457.60470589810774,
"volume_molar": 15.309777507537815,
"formula_full": "Y10 Fe4 Te4",
"formula_reduced": "Y5(FeTe)2",
"formula_anonymous": "A2B2C5",
"energy": -124.59154802,
"energy_per_atom": -6.921752667777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.90354802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7241601,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.923000Z",
"spacegroup": 63
},
{
"id": "mp-582751",
"created_at": "2022-09-04T14:40:42.660487Z",
"structure_string": "Y10 Ga2 Co10\n1.0\n2.031421 -5.091360 0.000000\n2.031421 5.091360 0.000000\n0.000000 0.000000 20.607793\nY Ga Co\n10 2 10\ndirect\n0.286934 0.713066 0.250000 Y\n0.290168 0.709832 0.065677 Y\n0.999874 0.000126 0.843227 Y\n0.713066 0.286934 0.750000 Y\n0.709832 0.290168 0.565677 Y\n0.000126 0.999874 0.343227 Y\n0.999874 0.000126 0.656773 Y\n0.709832 0.290168 0.934323 Y\n0.000126 0.999874 0.156773 Y\n0.290168 0.709832 0.434323 Y\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.298501 0.701499 0.653941 Co\n0.580440 0.419560 0.441562 Co\n0.412425 0.587575 0.750000 Co\n0.419560 0.580440 0.941562 Co\n0.587575 0.412425 0.250000 Co\n0.419560 0.580440 0.558438 Co\n0.701499 0.298501 0.346059 Co\n0.701499 0.298501 0.153941 Co\n0.580440 0.419560 0.058438 Co\n0.298501 0.701499 0.846059 Co\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Y",
"density": 6.302146439764332,
"density_atomic": 0.051609239314468563,
"volume": 426.2802609034452,
"volume_molar": 11.66872606531851,
"formula_full": "Y10 Ga2 Co10",
"formula_reduced": "Y5GaCo5",
"formula_anonymous": "AB5C5",
"energy": -148.23314392,
"energy_per_atom": -6.737870178181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.23314392,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0305976,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.609000Z",
"spacegroup": 63
},
{
"id": "mp-510521",
"created_at": "2022-09-04T14:45:39.161434Z",
"structure_string": "Y10 Ga6\n1.0\n4.325128 -7.491342 0.000000\n4.325128 7.491342 0.000000\n0.000000 0.000000 6.579657\nY Ga\n10 6\ndirect\n0.333333 0.666667 0.000000 Y\n0.666667 0.333333 0.500000 Y\n0.666667 0.333333 0.000000 Y\n0.333333 0.666667 0.500000 Y\n0.250531 0.000000 0.250000 Y\n0.250531 0.250531 0.750000 Y\n0.000000 0.749469 0.750000 Y\n0.000000 0.250531 0.250000 Y\n0.749469 0.749469 0.250000 Y\n0.749469 0.000000 0.750000 Y\n0.604797 0.000000 0.250000 Ga\n0.604797 0.604797 0.750000 Ga\n0.000000 0.395203 0.750000 Ga\n0.000000 0.604797 0.250000 Ga\n0.395203 0.395203 0.250000 Ga\n0.395203 0.000000 0.750000 Ga\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Ga"
],
"chemical_system": "Ga-Y",
"density": 5.09172074236052,
"density_atomic": 0.03752564310117489,
"volume": 426.37510453482554,
"volume_molar": 16.04806810042771,
"formula_full": "Y10 Ga6",
"formula_reduced": "Y5Ga3",
"formula_anonymous": "A3B5",
"energy": -90.93393402,
"energy_per_atom": -5.68337087625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.93393402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7345523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.878000Z",
"spacegroup": 193
},
{
"id": "mp-1196414",
"created_at": "2022-09-04T14:44:14.432233Z",
"structure_string": "Y10 Ge20 Ir8\n1.0\n13.039416 0.000000 0.000000\n0.000000 13.039416 0.000000\n0.000000 0.000000 4.359025\nY Ge Ir\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.674251 0.174251 0.500000 Y\n0.325749 0.825749 0.500000 Y\n0.174251 0.325749 0.500000 Y\n0.825749 0.674251 0.500000 Y\n0.883978 0.383978 0.500000 Y\n0.116022 0.616022 0.500000 Y\n0.383978 0.116022 0.500000 Y\n0.616022 0.883978 0.500000 Y\n0.566546 0.066546 0.000000 Ge\n0.433454 0.933454 0.000000 Ge\n0.066546 0.433454 0.000000 Ge\n0.933454 0.566546 0.000000 Ge\n0.662887 0.700064 0.000000 Ge\n0.337113 0.299936 0.000000 Ge\n0.162887 0.799936 0.000000 Ge\n0.837113 0.200064 0.000000 Ge\n0.299936 0.662887 0.000000 Ge\n0.700064 0.337113 0.000000 Ge\n0.200064 0.162887 0.000000 Ge\n0.799936 0.837113 0.000000 Ge\n0.656938 0.508598 0.500000 Ge\n0.343062 0.491402 0.500000 Ge\n0.156938 0.991402 0.500000 Ge\n0.843062 0.008598 0.500000 Ge\n0.491402 0.656938 0.500000 Ge\n0.508598 0.343062 0.500000 Ge\n0.008598 0.156938 0.500000 Ge\n0.991402 0.843062 0.500000 Ge\n0.746046 0.521191 0.000000 Ir\n0.253954 0.478809 0.000000 Ir\n0.246046 0.978809 0.000000 Ir\n0.753954 0.021191 0.000000 Ir\n0.478809 0.746046 0.000000 Ir\n0.521191 0.253954 0.000000 Ir\n0.021191 0.246046 0.000000 Ir\n0.978809 0.753954 0.000000 Ir\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Y",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Y",
"density": 8.692201605288716,
"density_atomic": 0.05127172803184904,
"volume": 741.1491958374235,
"volume_molar": 11.745538898667816,
"formula_full": "Y10 Ge20 Ir8",
"formula_reduced": "Y5(Ge5Ir2)2",
"formula_anonymous": "A4B5C10",
"energy": -257.63781597,
"energy_per_atom": -6.779942525526316,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.63781597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005205,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.158000Z",
"spacegroup": 127
},
{
"id": "mp-1195689",
"created_at": "2022-09-04T14:40:41.556839Z",
"structure_string": "Y10 Ge20 Os8\n1.0\n13.204189 0.000000 0.000000\n0.000000 13.204189 0.000000\n0.000000 0.000000 4.288046\nY Ge Os\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.672036 0.172036 0.500000 Y\n0.327964 0.827964 0.500000 Y\n0.172036 0.327964 0.500000 Y\n0.827964 0.672036 0.500000 Y\n0.883301 0.383301 0.500000 Y\n0.116699 0.616699 0.500000 Y\n0.383301 0.116699 0.500000 Y\n0.616699 0.883301 0.500000 Y\n0.567487 0.067487 0.000000 Ge\n0.432513 0.932513 0.000000 Ge\n0.067487 0.432513 0.000000 Ge\n0.932513 0.567487 0.000000 Ge\n0.663502 0.697723 0.000000 Ge\n0.336498 0.302277 0.000000 Ge\n0.163502 0.802277 0.000000 Ge\n0.836498 0.197723 0.000000 Ge\n0.302277 0.663502 0.000000 Ge\n0.697723 0.336498 0.000000 Ge\n0.197723 0.163502 0.000000 Ge\n0.802277 0.836498 0.000000 Ge\n0.658317 0.507997 0.500000 Ge\n0.341683 0.492003 0.500000 Ge\n0.158317 0.992003 0.500000 Ge\n0.841683 0.007997 0.500000 Ge\n0.492003 0.658317 0.500000 Ge\n0.507997 0.341683 0.500000 Ge\n0.007997 0.158317 0.500000 Ge\n0.992003 0.841683 0.500000 Ge\n0.747351 0.518341 0.000000 Os\n0.252649 0.481659 0.000000 Os\n0.247351 0.981659 0.000000 Os\n0.752649 0.018341 0.000000 Os\n0.481659 0.747351 0.000000 Os\n0.518341 0.252649 0.000000 Os\n0.018341 0.247351 0.000000 Os\n0.981659 0.752649 0.000000 Os\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Y",
"Ge",
"Os"
],
"chemical_system": "Ge-Os-Y",
"density": 8.581622911323853,
"density_atomic": 0.05082772797322361,
"volume": 747.6234235773563,
"volume_molar": 11.848140769094584,
"formula_full": "Y10 Ge20 Os8",
"formula_reduced": "Y5(Ge5Os2)2",
"formula_anonymous": "A4B5C10",
"energy": -267.92733239,
"energy_per_atom": -7.050719273421053,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.92733239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0185896,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.608000Z",
"spacegroup": 127
},
{
"id": "mp-1198948",
"created_at": "2022-09-04T14:42:54.180681Z",
"structure_string": "Y10 Ge20 Rh8\n1.0\n13.104588 0.000000 0.000000\n0.000000 13.104588 0.000000\n0.000000 0.000000 4.317926\nY Ge Rh\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.675719 0.175719 0.500000 Y\n0.324281 0.824281 0.500000 Y\n0.175719 0.324281 0.500000 Y\n0.824281 0.675719 0.500000 Y\n0.886648 0.386648 0.500000 Y\n0.113352 0.613352 0.500000 Y\n0.386648 0.113352 0.500000 Y\n0.613352 0.886648 0.500000 Y\n0.566291 0.066291 0.000000 Ge\n0.433709 0.933709 0.000000 Ge\n0.066291 0.433709 0.000000 Ge\n0.933709 0.566291 0.000000 Ge\n0.661135 0.699907 0.000000 Ge\n0.338865 0.300093 0.000000 Ge\n0.161135 0.800093 0.000000 Ge\n0.838865 0.199907 0.000000 Ge\n0.300093 0.661135 0.000000 Ge\n0.699907 0.338865 0.000000 Ge\n0.199907 0.161135 0.000000 Ge\n0.800093 0.838865 0.000000 Ge\n0.659402 0.503029 0.500000 Ge\n0.340598 0.496971 0.500000 Ge\n0.159402 0.996971 0.500000 Ge\n0.840598 0.003029 0.500000 Ge\n0.496971 0.659402 0.500000 Ge\n0.503029 0.340598 0.500000 Ge\n0.003029 0.159402 0.500000 Ge\n0.996971 0.840598 0.500000 Ge\n0.745672 0.521999 0.000000 Rh\n0.254328 0.478001 0.000000 Rh\n0.245672 0.978001 0.000000 Rh\n0.754328 0.021999 0.000000 Rh\n0.478001 0.745672 0.000000 Rh\n0.521999 0.254328 0.000000 Rh\n0.021999 0.245672 0.000000 Rh\n0.978001 0.754328 0.000000 Rh\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Y",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Y",
"density": 7.087856856486703,
"density_atomic": 0.05124619895460892,
"volume": 741.5184106368225,
"volume_molar": 11.751390118385334,
"formula_full": "Y10 Ge20 Rh8",
"formula_reduced": "Y5(Ge5Rh2)2",
"formula_anonymous": "A4B5C10",
"energy": -246.94347285,
"energy_per_atom": -6.498512443421053,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.94347285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030463,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.660000Z",
"spacegroup": 127
},
{
"id": "mp-1207728",
"created_at": "2022-09-04T14:46:41.192666Z",
"structure_string": "Y10 Ge4 Sb4\n1.0\n3.967045 -7.596381 0.000000\n3.967045 7.596381 0.000000\n0.000000 0.000000 7.944361\nY Ge Sb\n10 4 4\ndirect\n0.036831 0.292188 0.336286 Y\n0.963169 0.707812 0.663714 Y\n0.463169 0.207812 0.836286 Y\n0.792188 0.536831 0.163714 Y\n0.536831 0.792188 0.163714 Y\n0.207812 0.463169 0.836286 Y\n0.707812 0.963169 0.663714 Y\n0.292188 0.036831 0.336286 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.361722 0.361722 0.137045 Ge\n0.638278 0.638278 0.862955 Ge\n0.138278 0.138278 0.637045 Ge\n0.861722 0.861722 0.362955 Ge\n0.795153 0.204847 0.000000 Sb\n0.204847 0.795153 0.000000 Sb\n0.704847 0.295153 0.500000 Sb\n0.295153 0.704847 0.500000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Ge",
"Sb"
],
"chemical_system": "Ge-Sb-Y",
"density": 5.780067190146058,
"density_atomic": 0.0375932326988542,
"volume": 478.80958108049646,
"volume_molar": 16.019214969463235,
"formula_full": "Y10 Ge4 Sb4",
"formula_reduced": "Y5(GeSb)2",
"formula_anonymous": "A2B2C5",
"energy": -118.50931461,
"energy_per_atom": -6.583850811666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.74131461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5171616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.611000Z",
"spacegroup": 64
},
{
"id": "mp-17751",
"created_at": "2022-09-04T14:45:57.321475Z",
"structure_string": "Y10 Ge6\n1.0\n4.265039 -7.387264 0.000000\n4.265039 7.387264 0.000000\n0.000000 0.000000 6.440943\nY Ge\n10 6\ndirect\n0.000000 0.757694 0.750000 Y\n0.000000 0.242306 0.250000 Y\n0.757694 0.757694 0.250000 Y\n0.757694 0.000000 0.750000 Y\n0.242306 0.242306 0.750000 Y\n0.242306 0.000000 0.250000 Y\n0.333333 0.666667 0.500000 Y\n0.666667 0.333333 0.000000 Y\n0.666667 0.333333 0.500000 Y\n0.333333 0.666667 0.000000 Y\n0.393765 0.000000 0.750000 Ge\n0.393765 0.393765 0.250000 Ge\n0.000000 0.606235 0.250000 Ge\n0.000000 0.393765 0.750000 Ge\n0.606235 0.606235 0.750000 Ge\n0.606235 0.000000 0.250000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Ge"
],
"chemical_system": "Ge-Y",
"density": 5.420578371060208,
"density_atomic": 0.0394215689276327,
"volume": 405.8691836789058,
"volume_molar": 15.27625846412916,
"formula_full": "Y10 Ge6",
"formula_reduced": "Y5Ge3",
"formula_anonymous": "A3B5",
"energy": -105.73403309,
"energy_per_atom": -6.608377068125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.73403309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0449933,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:09.540000Z",
"spacegroup": 193
}
]
}