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{
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{
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{
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{
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"structure_string": "Li2 Fe8 B8 O24\n1.0\n5.337775 0.000000 0.000000\n0.065245 9.039669 0.000000\n0.098252 0.040528 10.130094\nLi Fe B O\n2 8 8 24\ndirect\n0.650280 0.002559 0.895509 Li\n0.850356 0.511772 0.653977 Li\n0.158460 0.825602 0.876686 Fe\n0.839900 0.848134 0.625539 Fe\n0.338409 0.666736 0.133324 Fe\n0.658023 0.666343 0.380825 Fe\n0.340759 0.325135 0.627260 Fe\n0.161041 0.165639 0.375040 Fe\n0.650472 0.343302 0.880287 Fe\n0.843360 0.167483 0.127030 Fe\n0.159422 0.829145 0.375959 B\n0.337588 0.658775 0.631438 B\n0.827703 0.830458 0.124808 B\n0.666136 0.679651 0.876143 B\n0.337291 0.330730 0.130538 B\n0.668319 0.328712 0.377778 B\n0.160724 0.158396 0.874848 B\n0.831030 0.180945 0.629089 B\n0.254688 0.967451 0.370550 O\n0.069910 0.800080 0.078350 O\n0.729671 0.969533 0.111363 O\n0.207407 0.778973 0.684626 O\n0.302597 0.706442 0.333696 O\n0.795145 0.810684 0.845808 O\n0.919082 0.804275 0.423968 O\n0.430268 0.696292 0.937818 O\n0.218971 0.523815 0.627243 O\n0.582395 0.674834 0.582517 O\n0.690232 0.714126 0.179468 O\n0.241706 0.469394 0.135612 O\n0.760107 0.546698 0.842877 O\n0.286511 0.278183 0.820163 O\n0.428691 0.298470 0.427807 O\n0.761297 0.467174 0.381721 O\n0.578167 0.304604 0.081569 O\n0.069728 0.196564 0.569307 O\n0.197185 0.208284 0.173460 O\n0.704631 0.314260 0.661197 O\n0.807564 0.208865 0.326666 O\n0.279768 0.022995 0.881263 O\n0.915189 0.175859 0.924690 O\n0.729702 0.050155 0.656111 O\n",
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"formula_full": "Li2 Fe8 B8 O24",
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{
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"structure_string": "Li4 Cu2 P4 O14\n1.0\n5.304102 0.073299 0.214823\n-1.759673 6.018593 -0.025173\n-0.570214 -3.344189 8.217575\nLi Cu P O\n4 2 4 14\ndirect\n0.081153 0.763383 0.013172 Li\n0.328163 0.216380 0.752947 Li\n0.671837 0.783620 0.247053 Li\n0.918847 0.236617 0.986828 Li\n0.114378 0.607192 0.378216 Cu\n0.885622 0.392808 0.621784 Cu\n0.232232 0.140164 0.390611 P\n0.591837 0.697194 0.884807 P\n0.408163 0.302806 0.115193 P\n0.767768 0.859836 0.609389 P\n0.059152 0.878627 0.330364 O\n0.044519 0.301690 0.414908 O\n0.297351 0.585534 0.872903 O\n0.259996 0.493501 0.175674 O\n0.263527 0.123425 0.950450 O\n0.561402 0.781172 0.465698 O\n0.628326 0.848820 0.765513 O\n0.371674 0.151180 0.234487 O\n0.438598 0.218828 0.534302 O\n0.736473 0.876575 0.049550 O\n0.740004 0.506499 0.824326 O\n0.702649 0.414466 0.127097 O\n0.955481 0.698310 0.585092 O\n0.940848 0.121373 0.669636 O\n",
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{
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"structure_string": "W4 N6\n1.0\n4.336413 2.517834 0.000000\n-4.336413 2.517834 0.000000\n0.000000 1.697570 5.105382\nW N\n4 6\ndirect\n0.331049 0.993920 0.008374 W\n0.677052 0.677052 0.984279 W\n0.993920 0.331049 0.008374 W\n0.491165 0.491165 0.523023 W\n0.092507 0.092507 0.749837 N\n0.412313 0.746218 0.747611 N\n0.746218 0.412313 0.747611 N\n0.264280 0.580370 0.250481 N\n0.903789 0.903789 0.251929 N\n0.580370 0.264280 0.250481 N\n",
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{
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"structure_string": "Ca10 Sn6 S22\n1.0\n8.749305 0.000000 0.000000\n1.992931 8.519944 0.000000\n1.179033 1.161221 13.816520\nCa Sn S\n10 6 22\ndirect\n0.041170 0.015535 0.241758 Ca\n0.958830 0.984465 0.758242 Ca\n0.900229 0.549444 0.233207 Ca\n0.099771 0.450556 0.766793 Ca\n0.447317 0.078272 0.754187 Ca\n0.552683 0.921728 0.245813 Ca\n0.300189 0.708463 0.997424 Ca\n0.699811 0.291537 0.002576 Ca\n0.666289 0.327741 0.493667 Ca\n0.333711 0.672259 0.506333 Ca\n0.429030 0.453439 0.257741 Sn\n0.570970 0.546561 0.742259 Sn\n0.175922 0.185982 0.467324 Sn\n0.824078 0.814018 0.532676 Sn\n0.215942 0.210006 0.017463 Sn\n0.784058 0.789994 0.982537 Sn\n0.586389 0.599335 0.331984 S\n0.413611 0.400665 0.668016 S\n0.316600 0.964625 0.109820 S\n0.683400 0.035375 0.890180 S\n0.969564 0.295132 0.109236 S\n0.030436 0.704868 0.890764 S\n0.289980 0.950541 0.387224 S\n0.710020 0.049459 0.612776 S\n0.943925 0.284668 0.379691 S\n0.056075 0.715332 0.620309 S\n0.153326 0.138208 0.863133 S\n0.846674 0.861792 0.136867 S\n0.351659 0.372449 0.430691 S\n0.648341 0.627551 0.569309 S\n0.844243 0.838912 0.361366 S\n0.155757 0.161088 0.638634 S\n0.622078 0.611490 0.043778 S\n0.377922 0.388510 0.956222 S\n0.200219 0.617674 0.193874 S\n0.799781 0.382326 0.806126 S\n0.600388 0.225291 0.201304 S\n0.399612 0.774709 0.798696 S\n",
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{
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{
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{
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{
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],
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"density": 6.810622681373106,
"density_atomic": 0.0576159598620738,
"volume": 121.49411407459358,
"volume_molar": 10.45220937812428,
"formula_full": "Nb1 Zn3 Ga3",
"formula_reduced": "Nb(ZnGa)3",
"formula_anonymous": "AB3C3",
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"is_stable": null,
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"formation_energy": null,
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"updated_at": "2021-11-28T01:39:45.003000Z",
"spacegroup": 166
},
{
"id": "mp-1182461",
"created_at": "2022-09-04T14:48:25.884677Z",
"structure_string": "Ba4 Ho4 Co8 O22\n1.0\n7.632652 0.000000 0.000000\n0.000000 7.844486 0.000000\n0.000000 0.000000 7.844783\nBa Ho Co O\n4 4 8 22\ndirect\n0.000000 0.761246 0.000000 Ba\n0.000000 0.238754 0.000000 Ba\n0.000000 0.238754 0.500000 Ba\n0.000000 0.761246 0.500000 Ba\n0.500000 0.731458 0.500000 Ho\n0.500000 0.268542 0.000000 Ho\n0.500000 0.268542 0.500000 Ho\n0.500000 0.731458 0.000000 Ho\n0.746997 0.500000 0.750000 Co\n0.253003 0.500000 0.250000 Co\n0.253852 0.500000 0.750000 Co\n0.746148 0.500000 0.250000 Co\n0.709700 0.000000 0.750000 Co\n0.729658 0.000000 0.250000 Co\n0.270342 0.000000 0.750000 Co\n0.290300 0.000000 0.250000 Co\n0.701804 0.767453 0.750000 O\n0.701804 0.232547 0.750000 O\n0.298196 0.232547 0.250000 O\n0.298196 0.767453 0.250000 O\n0.310012 0.767621 0.750000 O\n0.310012 0.232379 0.750000 O\n0.689988 0.232379 0.250000 O\n0.689988 0.767621 0.250000 O\n0.280730 0.500000 0.998676 O\n0.280730 0.500000 0.501324 O\n0.719270 0.500000 0.498676 O\n0.719270 0.500000 0.001324 O\n0.319568 0.000000 0.005013 O\n0.319568 0.000000 0.494987 O\n0.680432 0.000000 0.505013 O\n0.680432 0.000000 0.994987 O\n0.980872 0.000000 0.250000 O\n0.019128 0.000000 0.750000 O\n0.011965 0.500000 0.250000 O\n0.507168 0.500000 0.750000 O\n0.492832 0.500000 0.250000 O\n0.988035 0.500000 0.750000 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
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"Ho",
"Co",
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],
"chemical_system": "Ba-Co-Ho-O",
"density": 7.185464363376826,
"density_atomic": 0.08090264263408398,
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"volume_molar": 7.443688566809429,
"formula_full": "Ba4 Ho4 Co8 O22",
"formula_reduced": "Ba2Ho2Co4O11",
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"updated_at": "2021-11-28T01:39:45.009000Z",
"spacegroup": 51
}
]
}