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=-is_stable&page=12168",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12166",
"results": [
{
"id": "mp-1183403",
"created_at": "2022-09-04T14:48:08.953661Z",
"structure_string": "Be1 Bi1 O3\n1.0\n3.673799 0.000000 0.000000\n0.000000 3.673799 0.000000\n0.000000 0.000000 3.673799\nBe Bi O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Bi\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": [
"Be",
"Bi",
"O"
],
"chemical_system": "Be-Bi-O",
"density": 8.907780541851858,
"density_atomic": 0.10083790854970147,
"volume": 49.584527008863695,
"volume_molar": 5.972100023307979,
"formula_full": "Be1 Bi1 O3",
"formula_reduced": "BeBiO3",
"formula_anonymous": "ABC3",
"energy": -30.63102613,
"energy_per_atom": -6.126205226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.570026129999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0049679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.499000Z",
"spacegroup": 221
},
{
"id": "mp-4575",
"created_at": "2022-09-04T14:47:58.288685Z",
"structure_string": "Mg16 Ge16 O48\n1.0\n5.420146 0.000000 0.000000\n0.000000 9.074987 0.000000\n0.000000 0.000000 19.074424\nMg Ge O\n16 16 48\ndirect\n0.647363 0.655740 0.123465 Mg\n0.147363 0.344260 0.376535 Mg\n0.852637 0.155740 0.876535 Mg\n0.352637 0.844260 0.623465 Mg\n0.352637 0.344260 0.876535 Mg\n0.852637 0.655740 0.623465 Mg\n0.147363 0.844260 0.123465 Mg\n0.647363 0.155740 0.376535 Mg\n0.655237 0.511628 0.377712 Mg\n0.155237 0.488372 0.122288 Mg\n0.844763 0.011628 0.622288 Mg\n0.344763 0.988372 0.877712 Mg\n0.344763 0.488372 0.622288 Mg\n0.844763 0.511628 0.877712 Mg\n0.155237 0.988372 0.377712 Mg\n0.655237 0.011628 0.122288 Mg\n0.956852 0.654909 0.270737 Ge\n0.456852 0.345091 0.229263 Ge\n0.543148 0.154909 0.729263 Ge\n0.043148 0.845091 0.770737 Ge\n0.043148 0.345091 0.729263 Ge\n0.543148 0.654909 0.770737 Ge\n0.456852 0.845091 0.270737 Ge\n0.956852 0.154909 0.229263 Ge\n0.194828 0.660113 0.472637 Ge\n0.694828 0.339887 0.027363 Ge\n0.305172 0.160113 0.527363 Ge\n0.805172 0.839887 0.972637 Ge\n0.805172 0.339887 0.527363 Ge\n0.305172 0.660113 0.972637 Ge\n0.694828 0.839887 0.472637 Ge\n0.194828 0.160113 0.027363 Ge\n0.372531 0.321805 0.055144 O\n0.872531 0.678195 0.444856 O\n0.127469 0.821805 0.944856 O\n0.627469 0.178195 0.555144 O\n0.627469 0.678195 0.944856 O\n0.127469 0.321805 0.555144 O\n0.872531 0.178195 0.055144 O\n0.372531 0.821805 0.444856 O\n0.328415 0.012737 0.070006 O\n0.828415 0.987263 0.429994 O\n0.171585 0.512737 0.929994 O\n0.671585 0.487263 0.570006 O\n0.671585 0.987263 0.929994 O\n0.171585 0.012737 0.570006 O\n0.828415 0.487263 0.070006 O\n0.328415 0.512737 0.429994 O\n0.186769 0.161921 0.934891 O\n0.686769 0.838079 0.565109 O\n0.313231 0.661921 0.065109 O\n0.961800 0.986684 0.186723 O\n0.813231 0.338079 0.434891 O\n0.313231 0.161921 0.434891 O\n0.686769 0.338079 0.934891 O\n0.186769 0.661921 0.565109 O\n0.158630 0.291717 0.193289 O\n0.658630 0.708283 0.306711 O\n0.341370 0.791717 0.806711 O\n0.841370 0.208283 0.693289 O\n0.841370 0.708283 0.806711 O\n0.341370 0.291717 0.693289 O\n0.658630 0.208283 0.193289 O\n0.158630 0.791717 0.306711 O\n0.976901 0.659693 0.179029 O\n0.476901 0.340307 0.320971 O\n0.523099 0.159693 0.820971 O\n0.023099 0.840307 0.679029 O\n0.023099 0.340307 0.820971 O\n0.523099 0.659693 0.679029 O\n0.476901 0.840307 0.179029 O\n0.976901 0.159693 0.320971 O\n0.961800 0.486684 0.313277 O\n0.461800 0.513316 0.186723 O\n0.538200 0.986684 0.686723 O\n0.038200 0.013316 0.813277 O\n0.038200 0.513316 0.686723 O\n0.538200 0.486684 0.813277 O\n0.461800 0.013316 0.313277 O\n0.813231 0.838079 0.065109 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Mg",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-O",
"density": 4.104483333370177,
"density_atomic": 0.08526711287308113,
"volume": 938.2280847139606,
"volume_molar": 7.062676988915844,
"formula_full": "Mg16 Ge16 O48",
"formula_reduced": "MgGeO3",
"formula_anonymous": "ABC3",
"energy": -541.78915894,
"energy_per_atom": -6.77236448675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -508.81315894,
"band_gap": 3.1657,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.536000Z",
"spacegroup": 61
},
{
"id": "mp-1097468",
"created_at": "2022-09-04T14:47:58.290428Z",
"structure_string": "Ca1 Sc1 In2\n1.0\n-5.975027 7.097012 9.908508\n5.975027 -7.097012 9.908508\n5.975027 7.097012 -9.908508\nCa Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.261918 0.261918 In\n0.000000 0.738082 0.738082 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"In"
],
"chemical_system": "Ca-In-Sc",
"density": 0.3108999475524141,
"density_atomic": 0.002379996530566642,
"volume": 1680.6747189029134,
"volume_molar": 253.03149322516944,
"formula_full": "Ca1 Sc1 In2",
"formula_reduced": "CaScIn2",
"formula_anonymous": "ABC2",
"energy": -7.36867419,
"energy_per_atom": -1.8421685475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.36867419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6043346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.594000Z",
"spacegroup": 71
},
{
"id": "mp-1206067",
"created_at": "2022-09-04T14:47:58.292629Z",
"structure_string": "Nd2 Cl2 O4\n1.0\n4.340600 0.000000 0.000000\n0.000000 5.103312 0.000000\n0.000000 2.077100 6.262941\nNd Cl O\n2 2 4\ndirect\n0.250000 0.178203 0.667282 Nd\n0.750000 0.821797 0.332718 Nd\n0.250000 0.213797 0.086991 Cl\n0.750000 0.786203 0.913009 Cl\n0.250000 0.754429 0.547188 O\n0.750000 0.245571 0.452812 O\n0.250000 0.616887 0.376879 O\n0.750000 0.383113 0.623121 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Cl",
"O"
],
"chemical_system": "Cl-Nd-O",
"density": 5.067654812223105,
"density_atomic": 0.05766466587655438,
"volume": 138.73313715414562,
"volume_molar": 10.443381000233135,
"formula_full": "Nd2 Cl2 O4",
"formula_reduced": "NdClO2",
"formula_anonymous": "ABC2",
"energy": -53.03250695,
"energy_per_atom": -6.62906336875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.94450695,
"band_gap": 3.4689,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.508000Z",
"spacegroup": 11
},
{
"id": "mp-505014",
"created_at": "2022-09-04T14:47:58.303494Z",
"structure_string": "Cs8 Sn4 Te14\n1.0\n4.026573 8.443242 0.000000\n-4.026573 8.443242 0.000000\n0.000000 5.329106 18.893775\nCs Sn Te\n8 4 14\ndirect\n0.026361 0.461973 0.147605 Cs\n0.680144 0.139352 0.938434 Cs\n0.860648 0.319856 0.561566 Cs\n0.139352 0.680144 0.438434 Cs\n0.538027 0.973639 0.352395 Cs\n0.319856 0.860648 0.061566 Cs\n0.461973 0.026361 0.647605 Cs\n0.973639 0.538027 0.852395 Cs\n0.220251 0.686933 0.653812 Sn\n0.686933 0.220251 0.153812 Sn\n0.313067 0.779749 0.846188 Sn\n0.779749 0.313067 0.346188 Sn\n0.191386 0.639934 0.963716 Te\n0.408747 0.996464 0.856311 Te\n0.996464 0.408747 0.356311 Te\n0.003536 0.591253 0.643689 Te\n0.360066 0.808614 0.536284 Te\n0.808614 0.360066 0.036284 Te\n0.490357 0.358452 0.735628 Te\n0.042529 0.957471 0.750000 Te\n0.639934 0.191386 0.463716 Te\n0.957471 0.042529 0.250000 Te\n0.358452 0.490357 0.235628 Te\n0.641548 0.509643 0.764372 Te\n0.509643 0.641548 0.264372 Te\n0.591253 0.003536 0.143689 Te\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Cs",
"Sn",
"Te"
],
"chemical_system": "Cs-Sn-Te",
"density": 4.2971423953074295,
"density_atomic": 0.02023856886477587,
"volume": 1284.6758174315175,
"volume_molar": 29.75576385977177,
"formula_full": "Cs8 Sn4 Te14",
"formula_reduced": "Cs4Sn2Te7",
"formula_anonymous": "A2B4C7",
"energy": -90.60584916,
"energy_per_atom": -3.4848403523076925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.69784916,
"band_gap": 1.1412,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003089,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.485000Z",
"spacegroup": 15
},
{
"id": "mp-562506",
"created_at": "2022-09-04T14:47:58.304996Z",
"structure_string": "Sr2 Co24 O38\n1.0\n2.898043 -5.019557 0.000000\n2.898043 5.019557 0.000000\n0.000000 0.000000 22.398998\nSr Co O\n2 24 38\ndirect\n0.666667 0.333333 0.250000 Sr\n0.333333 0.666667 0.750000 Sr\n0.167122 0.832878 0.889830 Co\n0.666667 0.333333 0.806719 Co\n0.832878 0.167122 0.389830 Co\n0.665756 0.832878 0.610170 Co\n0.000000 0.000000 0.000000 Co\n0.666667 0.333333 0.527094 Co\n0.832878 0.665756 0.110170 Co\n0.333333 0.666667 0.472906 Co\n0.333333 0.666667 0.027094 Co\n0.167122 0.334244 0.610170 Co\n0.832878 0.167122 0.110170 Co\n0.334244 0.167122 0.110170 Co\n0.832878 0.665756 0.389830 Co\n0.167122 0.334244 0.889830 Co\n0.000000 0.000000 0.500000 Co\n0.665756 0.832878 0.889830 Co\n0.666667 0.333333 0.972906 Co\n0.333333 0.666667 0.193281 Co\n0.167122 0.832878 0.610170 Co\n0.000000 0.000000 0.250000 Co\n0.333333 0.666667 0.306719 Co\n0.666667 0.333333 0.693281 Co\n0.000000 0.000000 0.750000 Co\n0.334244 0.167122 0.389830 Co\n0.333333 0.666667 0.560602 O\n0.666667 0.333333 0.060602 O\n0.000000 0.000000 0.838951 O\n0.501523 0.003046 0.847275 O\n0.498477 0.996954 0.347275 O\n0.000000 0.000000 0.161049 O\n0.333333 0.666667 0.939398 O\n0.703638 0.851819 0.446053 O\n0.498477 0.501523 0.347275 O\n0.501523 0.498477 0.847275 O\n0.148181 0.296362 0.053947 O\n0.148181 0.851819 0.053947 O\n0.296362 0.148181 0.946053 O\n0.498477 0.501523 0.152725 O\n0.851819 0.703638 0.553947 O\n0.501523 0.003046 0.652725 O\n0.996954 0.498477 0.847275 O\n0.851819 0.148181 0.553947 O\n0.188844 0.811156 0.250000 O\n0.501523 0.498477 0.652725 O\n0.003046 0.501523 0.347275 O\n0.811156 0.622312 0.750000 O\n0.148181 0.851819 0.446053 O\n0.811156 0.188844 0.750000 O\n0.003046 0.501523 0.152725 O\n0.498477 0.996954 0.152725 O\n0.851819 0.703638 0.946053 O\n0.148181 0.296362 0.446053 O\n0.996954 0.498477 0.652725 O\n0.703638 0.851819 0.053947 O\n0.851819 0.148181 0.946053 O\n0.296362 0.148181 0.553947 O\n0.000000 0.000000 0.338951 O\n0.666667 0.333333 0.439398 O\n0.622312 0.811156 0.250000 O\n0.000000 0.000000 0.661049 O\n0.377688 0.188844 0.750000 O\n0.188844 0.377688 0.250000 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Sr",
"Co",
"O"
],
"chemical_system": "Co-O-Sr",
"density": 5.599789280926626,
"density_atomic": 0.09820897356249512,
"volume": 651.6716108357828,
"volume_molar": 6.131965890232851,
"formula_full": "Sr2 Co24 O38",
"formula_reduced": "SrCo12O19",
"formula_anonymous": "AB12C19",
"energy": -449.56498585,
"energy_per_atom": -7.02445290390625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -384.14698585,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9998927,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.745000Z",
"spacegroup": 194
},
{
"id": "mp-797054",
"created_at": "2022-09-04T14:47:58.307409Z",
"structure_string": "Li4 Fe4 Si8 O22\n1.0\n8.767933 0.000000 0.000000\n-1.238806 7.437821 0.000000\n-1.366291 -2.044228 6.609886\nLi Fe Si O\n4 4 8 22\ndirect\n0.609748 0.198496 0.795912 Li\n0.144519 0.150797 0.754353 Li\n0.855481 0.849203 0.245647 Li\n0.390252 0.801504 0.204088 Li\n0.881935 0.389343 0.621055 Fe\n0.370983 0.398160 0.617545 Fe\n0.629017 0.601840 0.382455 Fe\n0.118065 0.610657 0.378945 Fe\n0.239947 0.032828 0.389598 Si\n0.957847 0.232707 0.223498 Si\n0.521033 0.224949 0.221883 Si\n0.768136 0.595972 0.974671 Si\n0.231864 0.404028 0.025329 Si\n0.478967 0.775051 0.778117 Si\n0.042153 0.767293 0.776502 Si\n0.760053 0.967172 0.610402 Si\n0.816116 0.154616 0.617885 O\n0.399000 0.058877 0.260227 O\n0.323445 0.155356 0.595193 O\n0.025033 0.067221 0.261117 O\n0.709659 0.181532 0.151395 O\n0.380435 0.273535 0.038436 O\n0.677083 0.435172 0.808464 O\n0.582260 0.369025 0.408229 O\n0.183102 0.415064 0.806463 O\n0.021792 0.292141 0.046850 O\n0.061371 0.373344 0.413487 O\n0.938629 0.626656 0.586513 O\n0.978208 0.707859 0.953150 O\n0.816898 0.584936 0.193537 O\n0.417740 0.630975 0.591771 O\n0.322917 0.564828 0.191536 O\n0.619565 0.726465 0.961564 O\n0.290341 0.818468 0.848605 O\n0.974967 0.932779 0.738883 O\n0.676555 0.844644 0.404807 O\n0.601000 0.941123 0.739773 O\n0.183884 0.845384 0.382115 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.1889328178317293,
"density_atomic": 0.08815494574058132,
"volume": 431.05919561024757,
"volume_molar": 6.831313557519171,
"formula_full": "Li4 Fe4 Si8 O22",
"formula_reduced": "Li2Fe2Si4O11",
"formula_anonymous": "A2B2C4D11",
"energy": -270.61345982,
"energy_per_atom": -7.121406837368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.47545982,
"band_gap": 2.0829000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9994452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.637000Z",
"spacegroup": 2
},
{
"id": "mp-1041145",
"created_at": "2022-09-04T14:47:58.315692Z",
"structure_string": "Mg2 Bi6 P6 O26\n1.0\n7.115633 0.000000 0.000000\n0.000000 8.471758 0.000000\n0.000000 2.020312 10.753647\nMg Bi P O\n2 6 6 26\ndirect\n0.750000 0.424768 0.164460 Mg\n0.250000 0.575232 0.835540 Mg\n0.250000 0.643367 0.231681 Bi\n0.750000 0.356633 0.768319 Bi\n0.250000 0.199245 0.434115 Bi\n0.500000 0.000000 0.000000 Bi\n0.750000 0.800755 0.565885 Bi\n0.000000 0.000000 0.000000 Bi\n0.250000 0.770522 0.524957 P\n0.750000 0.229478 0.475043 P\n0.250000 0.281990 0.762395 P\n0.750000 0.718010 0.237605 P\n0.750000 0.673542 0.899588 P\n0.250000 0.326458 0.100412 P\n0.750000 0.641598 0.761605 O\n0.575576 0.249586 0.387754 O\n0.250000 0.234348 0.635262 O\n0.565088 0.764618 0.915079 O\n0.750000 0.357169 0.560490 O\n0.750000 0.122725 0.890129 O\n0.250000 0.642831 0.439510 O\n0.065088 0.235382 0.084921 O\n0.250000 0.938802 0.435937 O\n0.750000 0.061198 0.564063 O\n0.082097 0.393389 0.783721 O\n0.250000 0.877275 0.109871 O\n0.582097 0.606611 0.216279 O\n0.750000 0.502220 0.981312 O\n0.750000 0.765652 0.364738 O\n0.434912 0.235382 0.084921 O\n0.924424 0.249586 0.387754 O\n0.424424 0.750414 0.612246 O\n0.417903 0.393389 0.783721 O\n0.250000 0.358402 0.238395 O\n0.750000 0.876166 0.137517 O\n0.250000 0.123834 0.862483 O\n0.917903 0.606611 0.216279 O\n0.934912 0.764618 0.915079 O\n0.075576 0.750414 0.612246 O\n0.250000 0.497780 0.018688 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Mg",
"Bi",
"P",
"O"
],
"chemical_system": "Bi-Mg-O-P",
"density": 4.878047496524641,
"density_atomic": 0.06170454200092824,
"volume": 648.2504966878819,
"volume_molar": 9.759639346985844,
"formula_full": "Mg2 Bi6 P6 O26",
"formula_reduced": "MgBi3P3O13",
"formula_anonymous": "AB3C3D13",
"energy": -281.86361733,
"energy_per_atom": -7.0465904332500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -264.00161733,
"band_gap": 2.8387,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.281000Z",
"spacegroup": 11
},
{
"id": "mp-30970",
"created_at": "2022-09-04T14:47:58.334423Z",
"structure_string": "Er24 Co14\n1.0\n11.076384 0.000000 0.000000\n0.000000 8.203474 0.000000\n0.000000 6.263083 8.958886\nEr Co\n24 14\ndirect\n0.705134 0.235401 0.537475 Er\n0.205134 0.764599 0.962525 Er\n0.842188 0.501844 0.658053 Er\n0.342188 0.498156 0.841947 Er\n0.157812 0.498156 0.341947 Er\n0.657812 0.501844 0.158053 Er\n0.004784 0.847229 0.354693 Er\n0.504784 0.152771 0.145307 Er\n0.995216 0.152771 0.645307 Er\n0.495216 0.847229 0.854693 Er\n0.794866 0.235401 0.037475 Er\n0.294866 0.764599 0.462525 Er\n0.927742 0.770832 0.086747 Er\n0.427742 0.229168 0.413253 Er\n0.072258 0.229168 0.913253 Er\n0.572258 0.770832 0.586747 Er\n0.300625 0.249609 0.674930 Er\n0.800625 0.750391 0.825070 Er\n0.699375 0.750391 0.325070 Er\n0.199375 0.249609 0.174930 Er\n0.929091 0.269112 0.303473 Er\n0.429091 0.730888 0.196527 Er\n0.070909 0.730888 0.696527 Er\n0.570909 0.269112 0.803473 Er\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.670971 0.910369 0.030743 Co\n0.170971 0.089631 0.469257 Co\n0.329029 0.089631 0.969257 Co\n0.829029 0.910369 0.530743 Co\n0.401804 0.492219 0.099864 Co\n0.901804 0.507781 0.400136 Co\n0.598196 0.507781 0.900136 Co\n0.098196 0.492219 0.599864 Co\n0.810635 0.097517 0.843606 Co\n0.310635 0.902483 0.656394 Co\n0.189365 0.902483 0.156394 Co\n0.689365 0.097517 0.343606 Co\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Er",
"Co"
],
"chemical_system": "Co-Er",
"density": 9.871430543346975,
"density_atomic": 0.04668031485942359,
"volume": 814.0476368772553,
"volume_molar": 12.90081435426368,
"formula_full": "Er24 Co14",
"formula_reduced": "Er12Co7",
"formula_anonymous": "A7B12",
"energy": -217.17219386,
"energy_per_atom": -5.715057733157894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.17219386,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1893241,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.107000Z",
"spacegroup": 14
},
{
"id": "mp-1044651",
"created_at": "2022-09-04T14:47:58.337780Z",
"structure_string": "Zn4 W12 O28\n1.0\n6.563809 0.000000 0.000000\n0.000000 7.896155 0.000000\n0.000000 0.000000 11.433599\nZn W O\n4 12 28\ndirect\n0.885984 0.507446 0.750000 Zn\n0.385984 0.992554 0.250000 Zn\n0.114016 0.492554 0.250000 Zn\n0.614016 0.007446 0.750000 Zn\n0.244519 0.737177 0.030876 W\n0.744519 0.762823 0.969124 W\n0.755481 0.262823 0.530876 W\n0.255481 0.237177 0.469124 W\n0.247304 0.761854 0.750000 W\n0.747304 0.738146 0.250000 W\n0.752696 0.238146 0.250000 W\n0.252696 0.261854 0.750000 W\n0.744519 0.762823 0.530876 W\n0.244519 0.737177 0.469124 W\n0.255481 0.237177 0.030876 W\n0.755481 0.262823 0.969124 W\n0.552549 0.252444 0.109313 O\n0.052549 0.247556 0.890687 O\n0.447451 0.747556 0.609313 O\n0.947451 0.752444 0.390687 O\n0.447451 0.747556 0.890687 O\n0.947451 0.752444 0.109313 O\n0.552549 0.252444 0.390687 O\n0.052549 0.247556 0.609313 O\n0.953943 0.228022 0.107003 O\n0.453943 0.271978 0.892997 O\n0.046057 0.771978 0.607003 O\n0.546057 0.728022 0.392997 O\n0.046057 0.771978 0.892997 O\n0.546057 0.728022 0.107003 O\n0.953943 0.228022 0.392997 O\n0.453943 0.271978 0.607003 O\n0.314366 0.011346 0.750000 O\n0.814366 0.488654 0.250000 O\n0.685634 0.988654 0.250000 O\n0.185634 0.511346 0.750000 O\n0.229501 0.491258 0.407892 O\n0.729501 0.008742 0.592108 O\n0.770499 0.508742 0.907892 O\n0.270499 0.991258 0.092108 O\n0.770499 0.508742 0.592108 O\n0.270499 0.991258 0.407892 O\n0.229501 0.491258 0.092108 O\n0.729501 0.008742 0.907892 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Zn",
"W",
"O"
],
"chemical_system": "O-W-Zn",
"density": 8.170285990028203,
"density_atomic": 0.07425028415585543,
"volume": 592.5903247405973,
"volume_molar": 8.110596246822698,
"formula_full": "Zn4 W12 O28",
"formula_reduced": "ZnW3O7",
"formula_anonymous": "AB3C7",
"energy": -375.27080491,
"energy_per_atom": -8.528881929772727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -302.77880491,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 23.9990703,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.413000Z",
"spacegroup": 62
},
{
"id": "mp-1522952",
"created_at": "2022-09-04T14:47:58.339537Z",
"structure_string": "Na1 Sr1 Pr1 W1 O6\n1.0\n0.000000 -4.079552 -4.079552\n4.079552 0.000000 -4.079552\n4.079552 -4.079552 -0.000000\nNa Sr Pr W O\n1 1 1 1 6\ndirect\n0.000000 0.000000 -0.000000 Na\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 W\n0.736893 0.263107 0.263107 O\n0.263107 0.736893 0.736893 O\n0.736893 0.263107 0.736893 O\n0.263107 0.736893 0.263107 O\n0.736893 0.736893 0.263107 O\n0.263107 0.263107 0.736893 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Pr",
"W",
"O"
],
"chemical_system": "Na-O-Pr-Sr-W",
"density": 6.49778726570055,
"density_atomic": 0.07364318865559302,
"volume": 135.78988338985405,
"volume_molar": 8.177457915576872,
"formula_full": "Na1 Sr1 Pr1 W1 O6",
"formula_reduced": "NaSrPrWO6",
"formula_anonymous": "ABCDE6",
"energy": -77.68312346,
"energy_per_atom": -7.768312346,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.12312346,
"band_gap": 3.1857,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.028000Z",
"spacegroup": 216
},
{
"id": "mp-760060",
"created_at": "2022-09-04T14:47:58.339713Z",
"structure_string": "Sb8 S16 O64\n1.0\n9.379545 0.000000 0.000000\n0.000000 9.548574 0.000000\n0.000000 0.000000 14.133053\nSb S O\n8 16 64\ndirect\n0.897979 0.858697 0.125230 Sb\n0.602021 0.858697 0.625230 Sb\n0.397979 0.641303 0.125230 Sb\n0.102021 0.641303 0.625230 Sb\n0.897979 0.358697 0.374770 Sb\n0.602021 0.358697 0.874770 Sb\n0.397979 0.141303 0.374770 Sb\n0.102021 0.141303 0.874770 Sb\n0.932280 0.926201 0.724343 S\n0.567720 0.926201 0.224343 S\n0.067720 0.573799 0.224343 S\n0.432280 0.573799 0.724343 S\n0.567720 0.426201 0.275657 S\n0.932280 0.426201 0.775657 S\n0.432280 0.073799 0.775657 S\n0.067720 0.073799 0.275657 S\n0.311969 0.838845 0.486866 S\n0.188031 0.838845 0.986866 S\n0.811969 0.661155 0.486866 S\n0.688031 0.661155 0.986866 S\n0.311969 0.338845 0.013134 S\n0.188031 0.338845 0.513134 S\n0.811969 0.161155 0.013134 S\n0.688031 0.161155 0.513134 S\n0.305350 0.996876 0.478085 O\n0.194650 0.996876 0.978085 O\n0.007216 0.986885 0.347588 O\n0.492784 0.986885 0.847588 O\n0.534459 0.975554 0.325219 O\n0.965541 0.975554 0.825219 O\n0.770423 0.919795 0.725338 O\n0.729577 0.919795 0.225338 O\n0.270166 0.813140 0.078837 O\n0.229834 0.813140 0.578837 O\n0.033875 0.799181 0.008618 O\n0.466125 0.799181 0.508618 O\n0.984501 0.774727 0.722215 O\n0.515499 0.774727 0.222215 O\n0.259283 0.763005 0.407165 O\n0.240717 0.763005 0.907165 O\n0.759283 0.736995 0.407165 O\n0.740717 0.736995 0.907165 O\n0.015499 0.725273 0.222215 O\n0.484501 0.725273 0.722215 O\n0.966125 0.700819 0.508618 O\n0.533875 0.700819 0.008618 O\n0.770166 0.686860 0.078837 O\n0.729834 0.686860 0.578837 O\n0.229577 0.580205 0.225338 O\n0.270423 0.580205 0.725338 O\n0.465541 0.524446 0.825219 O\n0.034459 0.524446 0.325219 O\n0.507216 0.513115 0.347588 O\n0.992784 0.513115 0.847588 O\n0.805350 0.503124 0.478085 O\n0.694650 0.503124 0.978085 O\n0.305350 0.496876 0.021915 O\n0.194650 0.496876 0.521915 O\n0.492784 0.486885 0.652412 O\n0.007216 0.486885 0.152412 O\n0.534459 0.475554 0.174781 O\n0.965541 0.475554 0.674781 O\n0.729577 0.419795 0.274662 O\n0.770423 0.419795 0.774662 O\n0.270166 0.313140 0.421163 O\n0.229834 0.313140 0.921163 O\n0.466125 0.299181 0.991382 O\n0.033875 0.299181 0.491382 O\n0.515499 0.274727 0.277785 O\n0.984501 0.274727 0.777785 O\n0.259283 0.263005 0.092835 O\n0.240717 0.263005 0.592835 O\n0.759283 0.236995 0.092835 O\n0.740717 0.236995 0.592835 O\n0.484501 0.225273 0.777785 O\n0.015499 0.225273 0.277785 O\n0.533875 0.200819 0.491382 O\n0.966125 0.200819 0.991382 O\n0.770166 0.186860 0.421163 O\n0.729834 0.186860 0.921163 O\n0.270423 0.080205 0.774662 O\n0.229577 0.080205 0.274662 O\n0.465541 0.024446 0.674781 O\n0.034459 0.024446 0.174781 O\n0.992784 0.013115 0.652412 O\n0.507216 0.013115 0.152412 O\n0.805350 0.003124 0.021915 O\n0.694650 0.003124 0.521915 O\n",
"nsites": 88,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 3.2942279383146653,
"density_atomic": 0.06952266236701292,
"volume": 1265.774310187439,
"volume_molar": 8.66212621175075,
"formula_full": "Sb8 S16 O64",
"formula_reduced": "Sb(SO4)2",
"formula_anonymous": "AB2C8",
"energy": -564.1555403699999,
"energy_per_atom": -6.410858413295454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -520.18754037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.664000Z",
"spacegroup": 61
}
]
}