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{
"id": "mp-504314",
"created_at": "2022-09-04T14:39:05.748303Z",
"structure_string": "Cr4 P4 O16\n1.0\n9.239789 0.166895 -2.496236\n0.998559 5.492152 -1.005247\n-0.013692 0.108717 6.409798\nCr P O\n4 4 16\ndirect\n0.060414 0.258042 0.331198 Cr\n0.312116 0.874794 0.593596 Cr\n0.687876 0.125173 0.406408 Cr\n0.939602 0.742026 0.668812 Cr\n0.027352 0.179392 0.794759 P\n0.401093 0.301504 0.648165 P\n0.598904 0.698467 0.351835 P\n0.972648 0.820638 0.205229 P\n0.034513 0.373528 0.650569 O\n0.126357 0.931735 0.729583 O\n0.069281 0.269061 0.032654 O\n0.129311 0.885749 0.284472 O\n0.275124 0.211412 0.449436 O\n0.409967 0.112995 0.806067 O\n0.348703 0.567586 0.729358 O\n0.455709 0.734627 0.424840 O\n0.544288 0.265376 0.575172 O\n0.651298 0.432382 0.270652 O\n0.590029 0.886975 0.193925 O\n0.724878 0.788590 0.550556 O\n0.870692 0.114263 0.715534 O\n0.930724 0.730938 0.967335 O\n0.873633 0.068257 0.270427 O\n0.965488 0.626490 0.349419 O\n",
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{
"id": "mp-1188128",
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"structure_string": "Cs3 Cu8 Se6\n1.0\n-0.000277 -4.036930 -0.000260\n-9.234724 2.017958 2.736290\n0.092337 -0.000635 -10.527122\nCs Cu Se\n3 8 6\ndirect\n0.500039 0.000059 0.999994 Cs\n0.688019 0.376094 0.304392 Cs\n0.311848 0.623633 0.695579 Cs\n0.296124 0.592502 0.071847 Cu\n0.703729 0.407246 0.928068 Cu\n0.889056 0.777952 0.220553 Cu\n0.111041 0.222218 0.779331 Cu\n0.524923 0.050024 0.645471 Cu\n0.475174 0.950134 0.354579 Cu\n0.080271 0.160654 0.533556 Cu\n0.919819 0.839534 0.466675 Cu\n0.838672 0.677573 0.985533 Se\n0.161290 0.322391 0.014528 Se\n0.029975 0.059885 0.299245 Se\n0.969993 0.940007 0.700701 Se\n0.652292 0.304654 0.648937 Se\n0.347737 0.695442 0.351011 Se\n",
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"volume": 391.43637396063787,
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"formula_full": "Cs3 Cu8 Se6",
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{
"id": "mp-756836",
"created_at": "2022-09-04T14:39:05.759103Z",
"structure_string": "Li5 Cr2 Cu5 O12\n1.0\n4.248379 2.743055 0.000000\n-4.248379 2.743055 0.000000\n0.000000 0.380277 9.652492\nLi Cr Cu O\n5 2 5 12\ndirect\n0.840061 0.673606 0.253695 Li\n0.676453 0.845989 0.743508 Li\n0.326394 0.159939 0.746305 Li\n0.154011 0.323547 0.256492 Li\n0.084404 0.915596 0.500000 Li\n0.752886 0.247114 0.500000 Cr\n0.252549 0.747451 0.000000 Cr\n0.921348 0.078652 0.000000 Cu\n0.000548 0.506752 0.748957 Cu\n0.493248 0.999452 0.251043 Cu\n0.583363 0.416637 0.000000 Cu\n0.415016 0.584984 0.500000 Cu\n0.010942 0.209489 0.634328 O\n0.790511 0.989058 0.365672 O\n0.918431 0.415954 0.096736 O\n0.584046 0.081569 0.903264 O\n0.694983 0.524487 0.623382 O\n0.475513 0.305017 0.376618 O\n0.526928 0.694322 0.128624 O\n0.305678 0.473072 0.871376 O\n0.431045 0.921243 0.596687 O\n0.078757 0.568955 0.403313 O\n0.193749 0.010864 0.133934 O\n0.989136 0.806250 0.866066 O\n",
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"density_atomic": 0.10668025047342697,
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"formula_full": "Li5 Cr2 Cu5 O12",
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{
"id": "mp-1043475",
"created_at": "2022-09-04T14:39:05.761198Z",
"structure_string": "Ca4 Ni8 P8 O36\n1.0\n6.466276 0.000000 0.000000\n0.000000 7.319468 0.000000\n0.000000 0.000000 14.259842\nCa Ni P O\n4 8 8 36\ndirect\n0.750000 0.379306 0.279856 Ca\n0.750000 0.120694 0.779856 Ca\n0.250000 0.620694 0.720144 Ca\n0.250000 0.879306 0.220144 Ca\n0.750000 0.850082 0.376655 Ni\n0.250000 0.149918 0.623345 Ni\n0.250000 0.350082 0.123345 Ni\n0.750000 0.649918 0.876655 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.250000 0.858756 0.435438 P\n0.750000 0.141244 0.564562 P\n0.750000 0.358756 0.064562 P\n0.250000 0.641244 0.935438 P\n0.750000 0.886675 0.192406 P\n0.250000 0.113325 0.807594 P\n0.250000 0.386675 0.307594 P\n0.750000 0.613325 0.692406 P\n0.052333 0.105235 0.867809 O\n0.552333 0.894765 0.132191 O\n0.947667 0.605235 0.632191 O\n0.447667 0.394765 0.367809 O\n0.947667 0.894765 0.132191 O\n0.447667 0.105235 0.867809 O\n0.052333 0.394765 0.367809 O\n0.552333 0.605235 0.632191 O\n0.250000 0.832749 0.987359 O\n0.750000 0.167251 0.012641 O\n0.750000 0.332749 0.512641 O\n0.250000 0.667251 0.487359 O\n0.750000 0.630589 0.446513 O\n0.250000 0.369411 0.553487 O\n0.250000 0.130589 0.053487 O\n0.750000 0.869411 0.946513 O\n0.750000 0.709189 0.253315 O\n0.250000 0.290811 0.746685 O\n0.250000 0.209189 0.246685 O\n0.750000 0.790811 0.753315 O\n0.436568 0.637733 0.867262 O\n0.936568 0.362267 0.132738 O\n0.563432 0.137733 0.632738 O\n0.063432 0.862267 0.367262 O\n0.563432 0.362267 0.132738 O\n0.063432 0.637733 0.867262 O\n0.436568 0.862267 0.367262 O\n0.936568 0.137733 0.632738 O\n0.750000 0.462518 0.770544 O\n0.250000 0.537482 0.229456 O\n0.250000 0.962518 0.729456 O\n0.750000 0.037482 0.270544 O\n0.750000 0.506393 0.991381 O\n0.250000 0.493607 0.008619 O\n0.250000 0.006393 0.508619 O\n0.750000 0.993607 0.491381 O\n",
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"formula_full": "Ca4 Ni8 P8 O36",
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{
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"created_at": "2022-09-04T14:39:05.770032Z",
"structure_string": "Mn3 Fe3 Sb2 O16\n1.0\n2.954126 5.164979 0.000000\n-2.954126 5.164979 0.000000\n0.000000 0.219080 9.286849\nMn Fe Sb O\n3 3 2 16\ndirect\n0.829520 0.829520 0.213414 Mn\n0.662307 0.166554 0.711877 Mn\n0.166554 0.662307 0.711877 Mn\n0.829493 0.332244 0.209447 Fe\n0.332244 0.829493 0.209447 Fe\n0.165615 0.165615 0.709417 Fe\n0.666783 0.666783 0.489838 Sb\n0.332319 0.332319 0.990505 Sb\n0.830931 0.333229 0.600944 O\n0.521418 0.521418 0.343691 O\n0.672777 0.672777 0.106918 O\n0.992965 0.992965 0.307010 O\n0.992704 0.992704 0.807731 O\n0.333229 0.830931 0.600944 O\n0.963118 0.529338 0.340538 O\n0.529338 0.963118 0.340538 O\n0.165296 0.165296 0.097847 O\n0.834207 0.834207 0.603939 O\n0.489937 0.041241 0.839501 O\n0.041241 0.489937 0.839501 O\n0.340484 0.340484 0.607889 O\n0.662785 0.164339 0.100209 O\n0.480310 0.480310 0.832695 O\n0.164339 0.662785 0.100209 O\n",
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"formula_full": "Mn3 Fe3 Sb2 O16",
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{
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"structure_string": "Y1 In1\n1.0\n2.494358 2.494358 0.000000\n-2.494358 2.494358 0.000000\n0.000000 0.000000 4.278977\nY In\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 In\n",
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{
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"structure_string": "Ca1 Mg14 Fe1 O16\n1.0\n8.606460 0.000000 0.000000\n0.000000 8.606460 0.000000\n0.000000 0.000000 4.320660\nCa Mg Fe O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.255668 0.000000 0.500000 Mg\n0.744332 0.000000 0.500000 Mg\n0.250056 0.500000 0.500000 Mg\n0.749944 0.500000 0.500000 Mg\n0.000000 0.255668 0.500000 Mg\n0.500000 0.250056 0.500000 Mg\n0.000000 0.744332 0.500000 Mg\n0.500000 0.749944 0.500000 Mg\n0.252348 0.252348 0.000000 Mg\n0.747652 0.252348 0.000000 Mg\n0.252348 0.747652 0.000000 Mg\n0.747652 0.747652 0.000000 Mg\n0.500000 0.500000 0.000000 Fe\n0.000000 0.262838 0.000000 O\n0.500000 0.248018 0.000000 O\n0.000000 0.737162 0.000000 O\n0.500000 0.751982 0.000000 O\n0.249892 0.249892 0.500000 O\n0.750108 0.249892 0.500000 O\n0.249892 0.750108 0.500000 O\n0.750108 0.750108 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.262838 0.000000 0.000000 O\n0.737162 0.000000 0.000000 O\n0.248018 0.500000 0.000000 O\n0.751982 0.500000 0.000000 O\n",
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{
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"structure_string": "Er6 Ta2 O14\n1.0\n3.734811 -5.244164 0.000000\n3.734811 5.244164 0.000000\n0.000000 0.000000 7.453378\nEr Ta O\n6 2 14\ndirect\n0.999180 0.465430 0.746806 Er\n0.534570 0.000820 0.753194 Er\n0.525577 0.525577 0.500000 Er\n0.474423 0.474423 0.000000 Er\n0.465430 0.999180 0.253194 Er\n0.000820 0.534570 0.246806 Er\n0.002319 0.002319 0.500000 Ta\n0.997681 0.997681 0.000000 Ta\n0.069922 0.930078 0.250000 O\n0.060002 0.316425 0.461734 O\n0.081289 0.327905 0.029719 O\n0.360994 0.639006 0.250000 O\n0.370893 0.629107 0.750000 O\n0.327905 0.081289 0.970281 O\n0.316425 0.060002 0.538266 O\n0.683575 0.939998 0.038266 O\n0.672095 0.918711 0.470281 O\n0.629107 0.370893 0.250000 O\n0.639006 0.360994 0.750000 O\n0.918711 0.672095 0.529719 O\n0.939998 0.683575 0.961734 O\n0.930078 0.069922 0.750000 O\n",
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]
}