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"results": [
{
"id": "mp-1181563",
"created_at": "2022-09-04T14:47:01.371397Z",
"structure_string": "Eu2 Mn5 Al12\n1.0\n4.549675 2.626756 4.369437\n-4.549675 2.626756 4.369437\n0.000000 -5.253513 4.369437\nEu Mn Al\n2 5 12\ndirect\n0.657134 0.657134 0.657134 Eu\n0.342866 0.342866 0.342866 Eu\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.902421 0.902421 0.902421 Mn\n0.097579 0.097579 0.097579 Mn\n0.282424 0.717576 0.000000 Al\n0.717576 0.000000 0.282424 Al\n0.000000 0.282424 0.717576 Al\n0.282424 0.000000 0.717576 Al\n0.000000 0.717576 0.282424 Al\n0.717576 0.282424 0.000000 Al\n0.335815 0.335815 0.879037 Al\n0.335815 0.879037 0.335815 Al\n0.879037 0.335815 0.335815 Al\n0.664185 0.664185 0.120963 Al\n0.664185 0.120963 0.664185 Al\n0.120963 0.664185 0.664185 Al\n",
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},
{
"id": "mp-1194542",
"created_at": "2022-09-04T14:47:01.379531Z",
"structure_string": "Ce4 Al32 Co8\n1.0\n0.000000 0.000000 4.006932\n12.487360 0.000000 0.000000\n0.000000 14.293358 0.000000\nCe Al Co\n4 32 8\ndirect\n0.000000 0.840522 0.181390 Ce\n0.000000 0.159478 0.818610 Ce\n0.000000 0.340522 0.318610 Ce\n0.000000 0.659478 0.681390 Ce\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.659668 0.120798 Al\n0.500000 0.340332 0.879202 Al\n0.500000 0.159668 0.379202 Al\n0.500000 0.840332 0.620798 Al\n0.500000 0.952657 0.320844 Al\n0.500000 0.047343 0.679156 Al\n0.500000 0.452657 0.179156 Al\n0.500000 0.547343 0.820844 Al\n0.500000 0.736256 0.327496 Al\n0.500000 0.263744 0.672504 Al\n0.500000 0.236256 0.172504 Al\n0.500000 0.763744 0.827496 Al\n0.500000 0.831626 0.008764 Al\n0.500000 0.168374 0.991236 Al\n0.500000 0.331626 0.491236 Al\n0.500000 0.668374 0.508764 Al\n0.500000 0.525153 0.368386 Al\n0.500000 0.474847 0.631614 Al\n0.500000 0.025153 0.131614 Al\n0.500000 0.974847 0.868386 Al\n0.000000 0.840317 0.455313 Al\n0.000000 0.159683 0.544687 Al\n0.000000 0.340317 0.044687 Al\n0.000000 0.659683 0.955313 Al\n0.000000 0.596085 0.247063 Al\n0.000000 0.403915 0.752937 Al\n0.000000 0.096085 0.252937 Al\n0.000000 0.903915 0.747063 Al\n0.000000 0.651816 0.403825 Co\n0.000000 0.348184 0.596175 Co\n0.000000 0.151816 0.096175 Co\n0.000000 0.848184 0.903825 Co\n0.000000 0.535274 0.094462 Co\n0.000000 0.464726 0.905538 Co\n0.000000 0.035274 0.405538 Co\n0.000000 0.964726 0.594462 Co\n",
"nsites": 44,
"nelements": 3,
"elements": [
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"Al",
"Co"
],
"chemical_system": "Al-Ce-Co",
"density": 4.4006727462131,
"density_atomic": 0.06152275861588785,
"volume": 715.1824948993312,
"volume_molar": 9.788476484935806,
"formula_full": "Ce4 Al32 Co8",
"formula_reduced": "Ce(Al4Co)2",
"formula_anonymous": "AB2C8",
"energy": -221.28936096,
"energy_per_atom": -5.029303658181818,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:48.954000Z",
"spacegroup": 55
},
{
"id": "mp-1045356",
"created_at": "2022-09-04T14:47:01.380507Z",
"structure_string": "Y2 Mn4 S8\n1.0\n-3.730183 3.730183 5.542250\n3.730183 -3.730183 5.542250\n3.730183 3.730183 -5.542250\nY Mn S\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Y\n0.250000 0.750000 0.500000 Y\n0.375000 0.125000 0.250000 Mn\n0.875000 0.125000 0.250000 Mn\n0.875000 0.625000 0.750000 Mn\n0.875000 0.125000 0.750000 Mn\n0.669658 0.894143 0.775515 S\n0.105857 0.881372 0.775515 S\n0.105857 0.330342 0.224485 S\n0.080342 0.355857 0.724485 S\n0.631372 0.355857 0.275515 S\n0.644143 0.368628 0.724485 S\n0.118628 0.894143 0.224485 S\n0.644143 0.919658 0.275515 S\n",
"nsites": 14,
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"elements": [
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"Mn",
"S"
],
"chemical_system": "Mn-S-Y",
"density": 3.5210821940142343,
"density_atomic": 0.04538597350862035,
"volume": 308.4653455178376,
"volume_molar": 13.268726644931808,
"formula_full": "Y2 Mn4 S8",
"formula_reduced": "Y(MnS2)2",
"formula_anonymous": "AB2C4",
"energy": -99.80536079,
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"energy_uncorrected": -95.78136079,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:51.981000Z",
"spacegroup": 141
},
{
"id": "mp-22708",
"created_at": "2022-09-04T14:47:01.382493Z",
"structure_string": "Th6 Co6 Sb8\n1.0\n-4.802698 4.802698 4.802698\n4.802698 -4.802698 4.802698\n4.802698 4.802698 -4.802698\nTh Co Sb\n6 6 8\ndirect\n0.375000 0.250000 0.625000 Th\n0.750000 0.875000 0.125000 Th\n0.250000 0.625000 0.375000 Th\n0.625000 0.375000 0.250000 Th\n0.875000 0.125000 0.750000 Th\n0.125000 0.750000 0.875000 Th\n0.125000 0.875000 0.250000 Co\n0.625000 0.750000 0.375000 Co\n0.875000 0.250000 0.125000 Co\n0.250000 0.125000 0.875000 Co\n0.750000 0.375000 0.625000 Co\n0.375000 0.625000 0.750000 Co\n0.000000 0.340746 0.500000 Sb\n0.840746 0.500000 0.000000 Sb\n0.500000 0.000000 0.840746 Sb\n0.659254 0.659254 0.659254 Sb\n0.159254 0.159254 0.159254 Sb\n0.340746 0.500000 0.000000 Sb\n0.500000 0.000000 0.340746 Sb\n0.000000 0.840746 0.500000 Sb\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Co",
"Sb"
],
"chemical_system": "Co-Sb-Th",
"density": 10.192657007628732,
"density_atomic": 0.04513507504393195,
"volume": 443.11436240070765,
"volume_molar": 13.342485315773565,
"formula_full": "Th6 Co6 Sb8",
"formula_reduced": "Th3Co3Sb4",
"formula_anonymous": "A3B3C4",
"energy": -136.17190108,
"energy_per_atom": -6.8085950539999995,
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"updated_at": "2021-11-28T01:37:52.151000Z",
"spacegroup": 220
},
{
"id": "mp-1180291",
"created_at": "2022-09-04T14:47:01.404852Z",
"structure_string": "Mn1 Fe2 P2 O18\n1.0\n5.325432 0.000000 0.000000\n-2.495452 6.775206 0.000000\n-1.712387 -1.857458 9.780508\nMn Fe P O\n1 2 2 18\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.491176 0.406811 0.177512 P\n0.508824 0.593189 0.822488 P\n0.565031 0.391312 0.328104 O\n0.434969 0.608688 0.671896 O\n0.752617 0.507927 0.127869 O\n0.247383 0.492073 0.872131 O\n0.359896 0.183717 0.092577 O\n0.640104 0.816283 0.907423 O\n0.298002 0.521894 0.156128 O\n0.701998 0.478106 0.843872 O\n0.000302 0.939263 0.170406 O\n0.999698 0.060737 0.829594 O\n0.306717 0.151695 0.539438 O\n0.693283 0.848305 0.460562 O\n0.195873 0.487764 0.421465 O\n0.804127 0.512236 0.578535 O\n0.628496 0.897526 0.350830 O\n0.371504 0.102474 0.649170 O\n0.134128 0.801018 0.008491 O\n0.865872 0.198982 0.991509 O\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "Fe-Mn-O-P",
"density": 2.430721036943651,
"density_atomic": 0.06517620590381544,
"volume": 352.8895197419519,
"volume_molar": 9.23978417658623,
"formula_full": "Mn1 Fe2 P2 O18",
"formula_reduced": "MnFe2(PO9)2",
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"energy": -143.99068623,
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"updated_at": "2021-11-28T01:37:51.233000Z",
"spacegroup": 2
},
{
"id": "mp-763194",
"created_at": "2022-09-04T14:47:01.385921Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.354421 -0.045918 0.003865\n2.634016 4.662178 -0.004045\n-0.180466 0.311939 9.973709\nLi Mn B O\n2 4 4 12\ndirect\n0.128367 0.836746 0.667676 Li\n0.163262 0.871634 0.167669 Li\n0.515440 0.187452 0.127129 Mn\n0.812321 0.484662 0.627096 Mn\n0.167644 0.476991 0.377821 Mn\n0.523005 0.832402 0.877817 Mn\n0.161973 0.493785 0.872830 B\n0.506213 0.838049 0.372834 B\n0.492278 0.155168 0.628235 B\n0.844846 0.507705 0.128238 B\n0.066658 0.554109 0.182252 O\n0.445893 0.933342 0.682239 O\n0.246366 0.399790 0.573498 O\n0.600226 0.753621 0.073496 O\n0.211915 0.717254 0.857557 O\n0.282746 0.788100 0.357558 O\n0.370325 0.232175 0.926441 O\n0.767831 0.629704 0.426431 O\n0.483219 0.101754 0.332817 O\n0.898251 0.516791 0.832789 O\n0.751494 0.135725 0.632265 O\n0.864253 0.248516 0.132271 O\n",
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"elements": [
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],
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"volume": 250.1957865377803,
"volume_molar": 6.848701109497391,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -179.74571989,
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{
"id": "mp-1177121",
"created_at": "2022-09-04T14:47:01.393447Z",
"structure_string": "Li7 Fe4 P6 O24\n1.0\n8.485859 0.000000 0.000000\n4.234781 7.361294 0.000000\n4.176985 2.458794 7.589697\nLi Fe P O\n7 4 6 24\ndirect\n0.079783 0.845836 0.357980 Li\n0.260795 0.277404 0.866096 Li\n0.794628 0.646367 0.556610 Li\n0.597824 0.791578 0.856577 Li\n0.337604 0.238141 0.350075 Li\n0.767028 0.643941 0.161527 Li\n0.902609 0.164153 0.647873 Li\n0.147291 0.645333 0.063726 Fe\n0.637444 0.157856 0.547805 Fe\n0.355641 0.849972 0.454981 Fe\n0.847283 0.355238 0.940376 Fe\n0.231665 0.047293 0.751390 P\n0.046752 0.246700 0.254527 P\n0.457836 0.554867 0.244051 P\n0.531444 0.468421 0.755501 P\n0.958939 0.748090 0.751617 P\n0.748424 0.960010 0.254417 P\n0.103352 0.246715 0.778581 O\n0.256882 0.661675 0.218037 O\n0.014040 0.300767 0.078487 O\n0.435026 0.015082 0.733440 O\n0.142379 0.743377 0.592477 O\n0.474637 0.351870 0.369294 O\n0.189793 0.036806 0.289852 O\n0.135645 0.380520 0.234459 O\n0.792487 0.124995 0.091933 O\n0.619603 0.552476 0.062221 O\n0.795422 0.939655 0.412127 O\n0.493282 0.673081 0.307581 O\n0.488285 0.340568 0.714304 O\n0.213417 0.059987 0.580388 O\n0.395978 0.497452 0.934488 O\n0.162310 0.892662 0.905920 O\n0.869227 0.624128 0.752085 O\n0.806615 0.951780 0.736358 O\n0.522710 0.666875 0.609240 O\n0.860021 0.269157 0.408568 O\n0.535567 0.994422 0.303233 O\n0.997810 0.662196 0.930009 O\n0.743483 0.378240 0.757875 O\n0.871266 0.760331 0.223102 O\n",
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"density_atomic": 0.08647875808252442,
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"formula_full": "Li7 Fe4 P6 O24",
"formula_reduced": "Li7Fe4(PO4)6",
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{
"id": "mp-20985",
"created_at": "2022-09-04T14:47:01.405872Z",
"structure_string": "Ta2 Pb2 S4\n1.0\n1.687403 -2.922668 0.000000\n1.687403 2.922668 0.000000\n0.000000 0.000000 18.033429\nTa Pb S\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Ta\n0.333333 0.666667 0.250000 Ta\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.164231 S\n0.000000 0.000000 0.664231 S\n0.000000 0.000000 0.335769 S\n0.000000 0.000000 0.835769 S\n",
"nsites": 8,
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"elements": [
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"volume": 177.871599895612,
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"formula_full": "Ta2 Pb2 S4",
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"formula_anonymous": "ABC2",
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"spacegroup": 194
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{
"id": "mp-1096611",
"created_at": "2022-09-04T14:47:01.407573Z",
"structure_string": "Zr1 Sc1 Pd2\n1.0\n-4.923546 5.452345 8.150736\n4.923546 -5.452345 8.150736\n4.923546 5.452345 -8.150736\nZr Sc Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.237761 0.237761 Pd\n0.000000 0.762239 0.762239 Pd\n",
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{
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{
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{
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}