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{
"id": "jvasp-10647",
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"structure_string": "Zn2 Cr4 O8\n1.0\n5.938961 -0.003700 -0.002616\n2.966277 5.137741 -0.000000\n2.966277 1.712580 4.843909\nZn Cr O\n2 4 8\ndirect\n0.990024 0.003326 0.003325 Zn\n0.125186 0.624938 0.624938 Zn\n0.257925 0.247358 0.247358 Cr\n0.626765 0.121677 0.625778 Cr\n0.626766 0.625779 0.121676 Cr\n0.626766 0.625778 0.625778 Cr\n0.397139 0.372284 0.372284 O\n0.397139 0.372284 0.858292 O\n0.397140 0.858292 0.372284 O\n0.848906 0.383698 0.383697 O\n0.408147 0.863951 0.863951 O\n0.849370 0.408916 0.870857 O\n0.849370 0.870857 0.408916 O\n0.849370 0.870857 0.870857 O\n",
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{
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"structure_string": "Yb3 Sm3 S8\n1.0\n6.874234 -0.018294 -2.398681\n-3.465628 5.932085 -2.433956\n0.032905 0.013565 7.288558\nYb Sm S\n3 3 8\ndirect\n0.125321 0.747632 0.874468 Yb\n0.249999 0.626358 0.376358 Yb\n0.374677 0.249146 0.622311 Yb\n0.749999 0.873592 0.123591 Sm\n0.625075 0.376228 0.252413 Sm\n0.874923 0.127338 0.751152 Sm\n0.996479 0.854387 0.498237 S\n0.503519 0.001757 0.857908 S\n0.146818 0.142103 0.141299 S\n0.353180 0.494480 0.995285 S\n0.642561 0.649228 0.647243 S\n0.503364 0.001449 0.354978 S\n0.857438 0.504682 0.006666 S\n0.996635 0.351614 0.498084 S\n",
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{
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"updated_at": "2022-09-04T14:37:27.206911Z",
"structure_string": "Ba1 Zn1 Sn4 O8\n1.0\n2.988763 -5.176690 -0.000000\n2.988763 5.176690 -0.000000\n-0.000000 -0.000000 6.928652\nBa Zn Sn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333332 0.666666 0.708187 Sn\n0.666666 0.333332 0.708187 Sn\n0.333332 0.666666 0.291812 Sn\n0.666666 0.333332 0.291812 Sn\n0.289789 0.289789 0.696084 O\n0.710210 -0.000000 0.696084 O\n-0.000000 0.710210 0.696084 O\n0.710210 0.710210 0.303916 O\n-0.000000 0.289789 0.303916 O\n0.289789 -0.000000 0.303916 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
"nsites": 14,
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"density_atomic": 0.06529886827956005,
"volume": 214.39881530660924,
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"formula_full": "Ba1 Zn1 Sn4 O8",
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{
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"created_at": "2022-09-04T14:37:28.674287Z",
"updated_at": "2022-09-04T14:37:28.674322Z",
"structure_string": "Y2 Fe4 O8\n1.0\n5.047304 0.105181 -2.500636\n-1.358144 4.843446 -2.536654\n-0.048849 -0.018410 6.246459\nY Fe O\n2 4 8\ndirect\n0.874999 0.125000 0.750000 Y\n0.125001 0.875000 0.250001 Y\n0.500000 -0.000000 -0.000001 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500001 Fe\n0.500000 0.500000 0.500000 Fe\n0.717583 0.524545 0.850743 O\n0.133160 0.826199 0.850744 O\n0.282417 0.475455 0.149257 O\n0.866840 0.173801 0.149256 O\n0.524556 0.133169 0.350745 O\n0.826190 0.717577 0.350746 O\n0.173810 0.282424 0.649255 O\n0.475444 0.866831 0.649255 O\n",
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"formula_full": "Y2 Fe4 O8",
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{
"id": "jvasp-47611",
"created_at": "2022-09-04T14:37:27.197109Z",
"updated_at": "2022-09-04T14:37:27.197134Z",
"structure_string": "Li2 Cr1 Co3 O8\n1.0\n-2.852844 1.647090 4.658676\n-0.000000 3.294181 -4.658676\n-2.824217 -1.630563 -4.646989\nLi Cr Co O\n2 1 3 8\ndirect\n0.876606 0.123394 0.629817 Li\n0.123393 0.876607 0.370183 Li\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 -0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n-0.000000 0.500000 0.000000 Co\n0.738700 0.712239 0.765162 O\n0.738700 0.261301 0.765161 O\n0.263777 0.736224 0.791334 O\n0.287762 0.261301 0.765162 O\n0.712238 0.738700 0.234838 O\n0.736223 0.263777 0.208666 O\n0.261300 0.738700 0.234838 O\n0.261300 0.287761 0.234838 O\n",
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"formula_full": "Li2 Cr1 Co3 O8",
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{
"id": "jvasp-10653",
"created_at": "2022-09-04T14:37:06.712297Z",
"updated_at": "2022-09-04T14:37:06.712321Z",
"structure_string": "Zn2 Ni4 O8\n1.0\n5.857323 -0.023834 -0.016853\n2.908021 5.036840 -0.000000\n2.908021 1.678947 4.748778\nZn Ni O\n2 4 8\ndirect\n0.981613 0.006130 0.006130 Zn\n0.126092 0.624636 0.624636 Zn\n0.255337 0.248222 0.248222 Ni\n0.624862 0.124727 0.625206 Ni\n0.624862 0.625206 0.124727 Ni\n0.624862 0.625206 0.625206 Ni\n0.410477 0.373817 0.373817 O\n0.410476 0.373817 0.841890 O\n0.410477 0.841890 0.373817 O\n0.859356 0.380215 0.380215 O\n0.399406 0.866865 0.866865 O\n0.840722 0.415935 0.871672 O\n0.840723 0.871671 0.415935 O\n0.840722 0.871672 0.871672 O\n",
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"volume": 140.59404556144307,
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{
"id": "jvasp-9076",
"created_at": "2022-09-04T14:37:27.179628Z",
"updated_at": "2022-09-04T14:37:27.179650Z",
"structure_string": "Sr5 Al9\n1.0\n5.707670 0.001721 10.977701\n2.684672 5.036868 10.977701\n0.002866 0.001721 12.372850\nSr Al\n5 9\ndirect\n0.500000 0.500000 0.500000 Sr\n0.216635 0.216635 0.216635 Sr\n0.783365 0.783365 0.783365 Sr\n0.316633 0.316633 0.316633 Sr\n0.683367 0.683367 0.683366 Sr\n0.000000 0.000000 0.000000 Al\n0.124675 0.124675 0.124675 Al\n0.875326 0.875325 0.875325 Al\n0.237379 0.723251 0.237379 Al\n0.237379 0.237379 0.723250 Al\n0.723251 0.237379 0.237379 Al\n0.276750 0.762621 0.762621 Al\n0.762622 0.276749 0.762621 Al\n0.762621 0.762621 0.276749 Al\n",
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{
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"created_at": "2022-09-04T14:37:28.700919Z",
"updated_at": "2022-09-04T14:37:28.700936Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n5.917433 0.007864 0.014413\n2.965527 5.120714 0.014413\n2.972754 1.716320 4.854487\nZn Cu O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Zn\n0.625000 0.124999 0.625000 Zn\n0.992289 0.992287 0.007711 Cu\n0.257712 0.257712 0.242288 Cu\n0.625001 0.624999 0.124999 Cu\n0.625000 0.624999 0.625000 Cu\n0.394944 0.394943 0.367137 O\n0.393452 0.859575 0.373486 O\n0.394944 0.394943 0.842976 O\n0.859576 0.393450 0.373486 O\n0.390425 0.856548 0.876513 O\n0.856549 0.390424 0.876513 O\n0.855057 0.855055 0.407023 O\n0.855057 0.855055 0.882862 O\n",
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"volume": 146.69285049146018,
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{
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"structure_string": "Zn2 Cr4 S8\n1.0\n6.997440 0.004413 -0.009066\n-3.423849 6.102478 0.000624\n-3.328612 -2.143268 5.769817\nZn Cr S\n2 4 8\ndirect\n0.000125 0.000050 0.000146 Zn\n0.500083 0.999926 0.500068 Zn\n-0.000025 0.500000 0.999971 Cr\n0.499997 0.499977 -0.000020 Cr\n0.499984 -0.000000 -0.000023 Cr\n0.000002 0.500012 0.500012 Cr\n0.021378 0.749920 0.771295 S\n0.015569 0.269880 0.754347 S\n0.478591 0.749902 0.228482 S\n0.515583 0.261227 0.245688 S\n0.521371 0.250067 0.771446 S\n0.984400 0.730110 0.245616 S\n0.484393 0.738770 0.754292 S\n0.978587 0.250111 0.228678 S\n",
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"structure_string": "Li2 Tl2 P2 H2 O6\n1.0\n7.100756 2.542294 -0.005895\n-7.100756 2.542294 0.005895\n0.071691 0.000000 5.392327\nLi Tl P H O\n2 2 2 2 6\ndirect\n0.297685 0.802168 0.815892 Li\n0.802167 0.297685 0.184109 Li\n0.110528 0.928569 0.250610 Tl\n0.928569 0.110528 0.749390 Tl\n0.416475 0.699053 0.305835 P\n0.699053 0.416475 0.694166 P\n0.395943 0.503117 0.225016 H\n0.503117 0.395943 0.774984 H\n0.206888 0.640811 0.146097 O\n0.341933 0.643888 0.583391 O\n0.721228 0.990699 0.260131 O\n0.990699 0.721228 0.739868 O\n0.643888 0.341933 0.416610 O\n0.640811 0.206888 0.853904 O\n",
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"updated_at": "2022-09-04T14:37:06.643421Z",
"structure_string": "Sr2 Y4 S8\n1.0\n7.361283 -0.015446 0.000000\n-2.468324 6.935135 -0.000000\n-2.446479 -3.459843 6.019381\nSr Y S\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Sr\n0.875000 0.125000 0.750000 Sr\n0.128591 0.750001 0.878591 Y\n0.250000 0.628591 0.378591 Y\n0.371409 0.250000 0.621409 Y\n0.750000 0.871409 0.121409 Y\n0.487494 0.983920 0.849718 S\n0.137775 0.134201 0.150282 S\n0.362225 0.512507 0.996426 S\n0.634201 0.637775 0.650281 S\n0.483920 0.987494 0.349718 S\n0.012508 0.862226 0.496426 S\n0.865799 0.516080 0.003574 S\n0.016081 0.365800 0.503574 S\n",
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{
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"created_at": "2022-09-04T14:37:16.791204Z",
"updated_at": "2022-09-04T14:37:16.791230Z",
"structure_string": "Ba1 Mg1 Cr4 O8\n1.0\n2.671049 -4.626393 -0.000000\n2.671049 4.626393 -0.000000\n0.000000 0.000000 7.183314\nBa Mg Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.740083 Cr\n0.666667 0.333333 0.740083 Cr\n0.333333 0.666667 0.259917 Cr\n0.666667 0.333333 0.259917 Cr\n0.684278 0.000000 0.676965 O\n0.000000 0.684278 0.676965 O\n0.315721 0.315721 0.676965 O\n0.315721 0.000000 0.323034 O\n0.684279 0.684279 0.323034 O\n0.000000 0.315721 0.323034 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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}
]
}