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{
"id": "jvasp-120069",
"created_at": "2022-09-04T14:38:52.573818Z",
"updated_at": "2022-09-04T14:38:52.573850Z",
"structure_string": "Ca2 Ta1 O3\n1.0\n0.000000 7.004552 2.321258\n2.320785 0.000000 2.321258\n2.320785 7.004552 0.000000\nCa Ta O\n2 1 3\ndirect\n0.898117 0.571555 0.428448 Ca\n0.571551 0.898121 0.101882 Ca\n0.234851 0.234855 0.765148 Ta\n0.395971 0.073695 0.926307 O\n0.073692 0.395974 0.604028 O\n0.734898 0.734901 0.265101 O\n",
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{
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{
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"formula_full": "Ca2 Sn4 Rh2",
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{
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"created_at": "2022-09-04T14:38:33.184176Z",
"updated_at": "2022-09-04T14:38:33.184196Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n6.039128 0.000000 -3.170620\n-1.664616 5.805183 -3.170620\n-0.279508 -0.370921 6.804340\nCa Sn O\n2 4 8\ndirect\n0.374999 0.625000 0.749999 Ca\n0.625000 0.375000 0.250000 Ca\n-0.000000 0.000000 0.500000 Sn\n-0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.762579 0.787882 0.525160 O\n0.762724 0.237420 0.974839 O\n0.212117 0.237420 0.974839 O\n0.237420 0.212117 0.474839 O\n0.237419 0.762723 0.474839 O\n0.237277 0.762579 0.025160 O\n0.762580 0.237277 0.525161 O\n0.787882 0.762579 0.025160 O\n",
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"volume": 224.34358949889582,
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"formula_full": "Ca2 Sn4 O8",
"formula_reduced": "Ca(SnO2)2",
"formula_anonymous": "AB2C4",
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{
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"created_at": "2022-09-04T14:38:14.112203Z",
"updated_at": "2022-09-04T14:38:14.112224Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n3.309604 0.000000 0.000000\n-1.654802 5.483317 0.000000\n0.000000 -0.000000 10.944969\nCa Sn O\n2 4 8\ndirect\n0.387227 0.774455 0.750000 Ca\n0.612772 0.225546 0.250000 Ca\n0.868819 0.737639 0.073792 Sn\n0.131181 0.262362 0.926208 Sn\n0.868819 0.737639 0.426208 Sn\n0.131181 0.262362 0.573792 Sn\n0.227630 0.455260 0.386672 O\n0.772370 0.544741 0.613328 O\n0.772370 0.544741 0.886672 O\n0.227630 0.455260 0.113328 O\n0.961125 0.922251 0.250000 O\n0.038875 0.077749 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
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"formula_full": "Ca2 Sn4 O8",
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{
"id": "jvasp-10163",
"created_at": "2022-09-04T14:37:11.018863Z",
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"structure_string": "Ca2 Sn4 O8\n1.0\n3.298145 0.038224 -0.049119\n1.732833 7.189923 0.006111\n1.517422 1.278555 9.097430\nCa Sn O\n2 4 8\ndirect\n0.627284 0.836801 0.809080 Ca\n0.370384 0.130133 0.212805 Ca\n0.347798 0.399835 0.870475 Sn\n0.005026 0.774817 0.448523 Sn\n-0.007373 0.192122 0.573363 Sn\n0.649881 0.567100 0.151412 Sn\n0.170134 0.445185 0.260903 O\n0.533559 0.155072 0.788955 O\n0.464108 0.811865 0.232929 O\n0.827543 0.521750 0.760982 O\n0.835403 0.314177 0.037538 O\n0.177950 0.893823 0.637294 O\n0.162282 0.652756 0.984348 O\n0.819715 0.073112 0.384593 O\n",
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{
"id": "jvasp-10035",
"created_at": "2022-09-04T14:37:10.608990Z",
"updated_at": "2022-09-04T14:37:10.609016Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n6.725559 -0.445791 -0.079236\n2.976713 6.047399 -0.079236\n3.169394 1.829851 5.175599\nCa Sn O\n2 4 8\ndirect\n0.125000 0.625000 0.625000 Ca\n0.625000 0.125000 0.625000 Ca\n0.004883 0.004884 0.995116 Sn\n0.245116 0.245116 0.254884 Sn\n0.625000 0.625001 0.124999 Sn\n0.625000 0.625000 0.624999 Sn\n0.394568 0.394568 0.363732 O\n0.437536 0.808724 0.376869 O\n0.394567 0.394568 0.847134 O\n0.808724 0.437537 0.376869 O\n0.441276 0.812464 0.873129 O\n0.812463 0.441277 0.873129 O\n0.855432 0.855433 0.402865 O\n0.855432 0.855433 0.886266 O\n",
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{
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"created_at": "2022-09-04T14:38:41.923945Z",
"updated_at": "2022-09-04T14:38:41.923971Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.976189 0.000202 0.000000\n-1.988195 5.453028 0.000000\n0.000000 -0.000000 10.817760\nCa Sn O\n2 4 10\ndirect\n0.807030 0.614035 0.750000 Ca\n0.192970 0.385966 0.250000 Ca\n0.131502 0.262970 0.563271 Sn\n0.868498 0.737031 0.436728 Sn\n0.868498 0.737031 0.063272 Sn\n0.131502 0.262970 0.936729 Sn\n0.801154 0.602353 0.250000 O\n0.198846 0.397648 0.750000 O\n0.305849 0.611716 0.053202 O\n0.694152 0.388285 0.946798 O\n0.694152 0.388285 0.553202 O\n0.305849 0.611716 0.446797 O\n-0.047809 -0.095441 0.609710 O\n0.047809 0.095440 0.390290 O\n-0.047809 -0.095441 0.890290 O\n0.047809 0.095440 0.109711 O\n",
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{
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"created_at": "2022-09-04T14:37:20.018661Z",
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"structure_string": "Ca2 Sn4 O10\n1.0\n3.978215 0.000059 0.000000\n-1.988890 5.458182 0.000000\n0.000000 0.000000 10.834248\nCa Sn O\n2 4 10\ndirect\n0.807202 0.614281 0.750000 Ca\n0.192800 0.385720 0.250000 Ca\n0.131569 0.263039 0.563317 Sn\n0.868433 0.736962 0.436682 Sn\n0.868433 0.736962 0.063318 Sn\n0.131569 0.263039 0.936683 Sn\n0.801430 0.603020 0.250000 O\n0.198572 0.396980 0.750000 O\n0.305897 0.611865 0.053191 O\n0.694106 0.388136 0.946809 O\n0.694106 0.388136 0.553191 O\n0.305897 0.611865 0.446808 O\n-0.047976 -0.095377 0.609429 O\n0.047976 0.095376 0.390571 O\n-0.047976 -0.095377 0.890571 O\n0.047976 0.095376 0.109430 O\n",
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{
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{
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"formula_full": "Ca2 Sn2 S6",
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}
]
}