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{
"id": "jvasp-119679",
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"structure_string": "Y2 Mg2 Mn2 S8\n1.0\n6.695308 0.146806 3.884893\n2.382997 6.210728 3.725835\n-0.045317 0.031503 7.445500\nY Mg Mn S\n2 2 2 8\ndirect\n0.499998 0.500010 0.499990 Y\n-0.000000 0.499987 0.500011 Y\n0.872688 0.877342 0.877383 Mg\n0.127314 0.122655 0.122616 Mg\n0.499988 0.499998 0.000003 Mn\n0.500004 -0.000002 0.500003 Mn\n0.715223 0.766717 0.748047 S\n0.278860 0.234481 0.726406 S\n0.260316 0.726369 0.234402 S\n0.729739 0.251795 0.233410 S\n0.739671 0.273632 0.765599 S\n0.270260 0.748219 0.766583 S\n0.284783 0.233277 0.251953 S\n0.721160 0.765519 0.273594 S\n",
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{
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"structure_string": "Al1 Ni3\n1.0\n3.566216 0.000000 0.000000\n0.000000 3.566517 0.000000\n0.000000 0.000000 3.566517\nAl Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ni\n0.500001 0.000000 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n",
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{
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"updated_at": "2022-09-04T14:38:36.776812Z",
"structure_string": "Sr8 Sb4 N12\n1.0\n6.538267 -0.015835 -0.000376\n-10.409610 5.284792 -0.000000\n0.000436 0.000859 12.413127\nSr Sb N\n8 4 12\ndirect\n0.499995 0.037571 0.855159 Sr\n0.500005 0.537576 0.644841 Sr\n0.500004 0.962428 0.144841 Sr\n0.499994 0.462423 0.355159 Sr\n0.500060 0.866824 0.575127 Sr\n0.499940 0.366764 0.924873 Sr\n0.499940 0.133175 0.424873 Sr\n0.500059 0.633234 0.075127 Sr\n0.499936 0.753687 0.340495 Sb\n0.500063 0.253750 0.159505 Sb\n0.500063 0.246312 0.659505 Sb\n0.499937 0.746249 0.840495 Sb\n0.000001 0.069351 0.750000 N\n0.000000 0.569437 0.750000 N\n-0.000000 0.430563 0.250000 N\n0.500193 0.075595 0.642164 N\n0.499807 0.575402 0.857836 N\n0.499806 0.924404 0.357836 N\n0.500192 0.424597 0.142164 N\n0.499922 0.153148 0.028190 N\n0.500077 0.653225 0.471810 N\n0.500078 0.846851 0.971810 N\n0.499922 0.346774 0.528190 N\n-0.000000 0.930649 0.250000 N\n",
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{
"id": "jvasp-119681",
"created_at": "2022-09-04T14:38:50.384651Z",
"updated_at": "2022-09-04T14:38:50.384669Z",
"structure_string": "Mg2 Cr3 Fe1 S8\n1.0\n6.182969 0.005759 3.526157\n2.049907 5.840651 3.513372\n0.000320 0.015071 7.117504\nMg Cr Fe S\n2 3 1 8\ndirect\n0.875287 0.875313 0.875280 Mg\n0.124714 0.124687 0.124718 Mg\n0.500001 0.500001 0.000001 Cr\n0.000001 0.499999 0.499999 Cr\n0.500001 -0.000001 0.499999 Cr\n0.500000 0.499999 0.500001 Fe\n0.737262 0.737299 0.737269 S\n0.268090 0.268122 0.708588 S\n0.268112 0.708579 0.268143 S\n0.708593 0.268101 0.268099 S\n0.731888 0.291421 0.731860 S\n0.291409 0.731898 0.731902 S\n0.262741 0.262701 0.262728 S\n0.731912 0.731875 0.291411 S\n",
"nsites": 14,
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"elements": [
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{
"id": "jvasp-119682",
"created_at": "2022-09-04T14:38:52.799609Z",
"updated_at": "2022-09-04T14:38:52.799629Z",
"structure_string": "Y2 Mg2 Ti2 S8\n1.0\n6.647544 0.000416 3.938287\n2.141239 6.118639 3.964786\n-0.011464 0.020991 7.598773\nY Mg Ti S\n2 2 2 8\ndirect\n0.500001 0.500001 0.499998 Y\n0.000002 0.499997 0.500001 Y\n0.878038 0.871957 0.871960 Mg\n0.121961 0.128045 0.128043 Mg\n0.500000 0.500003 0.999997 Ti\n0.500001 0.999997 0.500003 Ti\n0.723778 0.751889 0.751892 S\n0.267891 0.231238 0.732988 S\n0.267886 0.732991 0.231234 S\n0.727559 0.248109 0.248108 S\n0.732112 0.267011 0.768765 S\n0.272440 0.751892 0.751891 S\n0.276225 0.248110 0.248109 S\n0.732112 0.768761 0.267014 S\n",
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{
"id": "jvasp-119683",
"created_at": "2022-09-04T14:38:52.443035Z",
"updated_at": "2022-09-04T14:38:52.443060Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n7.387239 0.019769 0.076491\n0.122001 7.386258 0.076491\n0.039747 0.039201 10.546718\nZr Cr Ag S\n4 4 4 16\ndirect\n-0.000125 0.249704 0.624781 Zr\n0.749704 -0.000125 0.374781 Zr\n0.499875 0.749704 0.124781 Zr\n0.249704 0.499875 0.874781 Zr\n0.000059 0.750066 0.625068 Cr\n0.750066 0.500059 0.875068 Cr\n0.250066 0.000059 0.375068 Cr\n0.500059 0.250066 0.125068 Cr\n0.985123 0.515195 0.250161 Ag\n0.485123 0.015195 0.750161 Ag\n0.515195 0.485123 0.500161 Ag\n0.015195 0.985123 0.000161 Ag\n0.772363 0.516214 0.644273 S\n0.992805 0.269668 0.868588 S\n0.227943 0.983841 0.605919 S\n0.516214 0.272363 0.894273 S\n0.269667 0.492805 0.118588 S\n0.507013 0.730135 0.881210 S\n0.730135 0.007013 0.131210 S\n0.769668 0.992805 0.618588 S\n0.272363 0.016214 0.144273 S\n0.492805 0.769668 0.368588 S\n0.727943 0.483841 0.105919 S\n0.016214 0.772363 0.394273 S\n0.983841 0.727943 0.855919 S\n0.007013 0.230135 0.381210 S\n0.483841 0.227943 0.355919 S\n0.230135 0.507013 0.631210 S\n",
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{
"id": "jvasp-119684",
"created_at": "2022-09-04T14:38:50.391350Z",
"updated_at": "2022-09-04T14:38:50.391373Z",
"structure_string": "Ca10 Pt4 N12\n1.0\n5.919338 0.021669 -1.343186\n-3.936236 5.555638 0.000000\n-0.010486 -0.007430 12.082303\nCa Pt N\n10 4 12\ndirect\n-0.000001 0.379247 0.750000 Ca\n-0.000000 0.620753 0.250000 Ca\n0.114110 0.804692 0.001005 Ca\n0.885890 0.690583 0.498994 Ca\n0.885890 0.195309 0.998994 Ca\n0.114109 0.309417 0.501005 Ca\n0.332614 0.033788 0.734758 Ca\n0.667385 0.701174 0.765241 Ca\n0.667385 0.966213 0.265241 Ca\n0.332614 0.298827 0.234758 Ca\n0.527413 0.709341 0.040448 Pt\n0.472587 0.181928 0.459552 Pt\n0.527413 0.818073 0.540448 Pt\n0.472587 0.290660 0.959551 Pt\n0.088088 0.996725 0.373578 N\n0.255100 0.673015 0.628714 N\n0.744899 0.417916 0.871285 N\n0.744900 0.326985 0.371285 N\n0.255100 0.582084 0.128714 N\n0.580044 0.328115 0.615253 N\n0.419955 0.748071 0.884746 N\n0.419955 0.671885 0.384746 N\n0.580045 0.251930 0.115253 N\n0.911911 0.003276 0.626421 N\n0.088088 0.091364 0.873578 N\n0.911911 0.908636 0.126422 N\n",
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{
"id": "jvasp-119685",
"created_at": "2022-09-04T14:38:36.794301Z",
"updated_at": "2022-09-04T14:38:36.794334Z",
"structure_string": "Sr6 Y4 N8\n1.0\n7.643741 0.032064 -0.172939\n-7.274635 7.602826 -0.000001\n-0.039065 -0.037379 6.457171\nSr Y N\n6 4 8\ndirect\n0.222161 0.919956 0.077929 Sr\n0.777838 0.697794 0.422071 Sr\n0.777837 0.080044 0.922071 Sr\n0.222161 0.302206 0.577929 Sr\n-0.000001 0.588148 0.750000 Sr\n-0.000000 0.411852 0.250000 Sr\n0.525373 0.369082 0.091526 Y\n0.474626 0.843709 0.408474 Y\n0.525372 0.156290 0.591526 Y\n0.474626 0.630918 0.908473 Y\n0.379317 0.769943 0.063484 N\n0.213750 0.867665 0.498750 N\n0.786249 0.653913 0.001250 N\n0.786249 0.132335 0.501250 N\n0.213750 0.346087 0.998750 N\n0.620681 0.230057 0.936516 N\n0.379317 0.609375 0.563484 N\n0.620682 0.390625 0.436516 N\n",
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{
"id": "jvasp-119687",
"created_at": "2022-09-04T14:38:36.820001Z",
"updated_at": "2022-09-04T14:38:36.820020Z",
"structure_string": "Al1 Cu7 O12\n1.0\n5.898630 -0.000000 -2.085481\n-2.949315 5.108364 -2.085481\n-0.000000 -0.000000 6.256442\nAl Cu O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n-0.000001 0.500000 -0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.499999 0.500000 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.499999 0.500000 -0.000000 Cu\n0.534636 0.833913 0.700723 O\n0.299276 0.465363 0.166086 O\n0.833913 0.700723 0.534636 O\n0.866809 0.166086 0.700723 O\n0.833914 0.299276 0.133190 O\n0.700723 0.866809 0.166086 O\n0.465363 0.166086 0.299276 O\n0.700723 0.534636 0.833913 O\n0.166085 0.700723 0.866809 O\n0.299276 0.133190 0.833914 O\n0.166086 0.299276 0.465363 O\n0.133189 0.833913 0.299276 O\n",
"nsites": 20,
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{
"id": "jvasp-119688",
"created_at": "2022-09-04T14:38:52.195662Z",
"updated_at": "2022-09-04T14:38:52.195695Z",
"structure_string": "Li4 Cr2 Co2 O8\n1.0\n5.742702 0.009975 -0.068288\n2.848972 4.094457 -2.886254\n0.006217 -0.009952 5.743135\nLi Cr Co O\n4 2 2 8\ndirect\n0.497520 0.004773 0.503313 Li\n0.997508 0.504762 0.003284 Li\n0.997463 0.504823 0.503347 Li\n0.997474 0.004797 0.503334 Li\n0.997462 0.004825 0.003364 Cr\n0.497451 0.504828 0.503353 Cr\n0.497467 0.004817 0.003349 Co\n0.497468 0.504815 0.003344 Co\n0.739718 0.019397 0.245747 O\n0.255068 0.519396 0.761096 O\n0.739846 0.490254 0.245621 O\n0.255190 0.990256 0.760973 O\n0.274552 0.483074 0.237087 O\n0.731222 0.026533 0.780432 O\n0.263726 0.983072 0.226262 O\n0.720382 0.526538 0.769593 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.11876918376976618,
"volume": 134.71507921630553,
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"formula_full": "Li4 Cr2 Co2 O8",
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"spacegroup": 74
},
{
"id": "jvasp-11969",
"created_at": "2022-09-04T14:36:04.321838Z",
"updated_at": "2022-09-04T14:36:04.321866Z",
"structure_string": "Mg8 Ni16\n1.0\n4.804482 -0.000000 -0.000000\n-2.402241 4.160803 -0.000000\n-0.000000 0.000000 15.769305\nMg Ni\n8 16\ndirect\n0.000000 0.000000 0.093127 Mg\n0.000000 0.000000 0.593127 Mg\n0.000000 0.000000 0.906873 Mg\n0.000000 0.000000 0.406873 Mg\n0.333333 0.666666 0.844107 Mg\n0.666667 0.333333 0.344106 Mg\n0.666667 0.333333 0.155894 Mg\n0.333333 0.666666 0.655894 Mg\n0.666667 0.333333 0.625162 Ni\n0.333333 0.666666 0.125162 Ni\n0.835831 0.164169 0.750000 Ni\n0.671662 0.835830 0.250000 Ni\n0.164169 0.328338 0.250000 Ni\n0.835831 0.671662 0.750000 Ni\n0.328338 0.164169 0.750000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.666667 0.333333 0.874839 Ni\n0.500000 0.000000 0.500000 Ni\n-0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.164169 0.835830 0.250000 Ni\n0.333333 0.666666 0.374838 Ni\n",
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},
{
"id": "jvasp-119690",
"created_at": "2022-09-04T14:38:52.216749Z",
"updated_at": "2022-09-04T14:38:52.216778Z",
"structure_string": "Li8 Cr4 O8\n1.0\n3.481875 0.123466 -0.697767\n1.414856 9.776639 1.572172\n-0.003302 0.015627 5.787218\nLi Cr O\n8 4 8\ndirect\n0.807113 0.740342 0.894422 Li\n0.307127 0.990336 0.644448 Li\n0.807137 0.240341 0.394422 Li\n0.307145 0.490338 0.144446 Li\n0.192856 0.759663 0.605552 Li\n0.692868 0.009660 0.355576 Li\n0.192877 0.259665 0.105554 Li\n0.692890 0.509660 0.855580 Li\n0.500021 0.250002 0.749995 Cr\n-0.000024 0.000001 0.000002 Cr\n0.500008 0.750000 0.249990 Cr\n0.000000 0.499998 0.500012 Cr\n0.732507 0.666012 0.597517 O\n0.232521 0.916009 0.347527 O\n0.732524 0.166013 0.097522 O\n0.232540 0.416014 0.847527 O\n0.267462 0.833988 0.902476 O\n0.767483 0.083987 0.652480 O\n0.267483 0.333992 0.402472 O\n0.767492 0.583991 0.152481 O\n",
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"volume": 195.86780247348884,
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"formula_full": "Li8 Cr4 O8",
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"spacegroup": 12
}
]
}