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{
"id": "jvasp-34182",
"created_at": "2022-09-04T14:37:08.258534Z",
"updated_at": "2022-09-04T14:37:08.258558Z",
"structure_string": "Ni1 P3 O9\n1.0\n5.861826 0.084638 -1.738673\n-2.351025 5.370368 -1.738673\n0.054472 0.084638 6.114001\nNi P O\n1 3 9\ndirect\n0.004589 0.004590 0.004588 Ni\n0.483792 0.035409 0.900821 P\n0.035409 0.900820 0.483794 P\n0.900822 0.483794 0.035411 P\n0.352663 0.079620 0.073486 O\n0.291999 0.882687 0.623530 O\n0.073487 0.352663 0.079621 O\n0.079620 0.073487 0.352662 O\n0.660820 0.912832 0.964409 O\n0.964410 0.660819 0.912833 O\n0.882687 0.623528 0.291999 O\n0.912832 0.964409 0.660820 O\n0.623529 0.291997 0.882688 O\n",
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{
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"structure_string": "Co5 O8\n1.0\n-5.672134 -0.000000 0.000000\n-2.836067 4.912212 0.000000\n-2.836067 -1.637404 -4.631278\nCo O\n5 8\ndirect\n0.495650 0.497826 0.502175 Co\n0.495650 0.006525 0.502175 Co\n0.250000 0.875000 0.125000 Co\n0.004350 0.497826 0.502175 Co\n0.004350 0.497826 0.993476 Co\n0.977750 0.738875 0.261125 O\n0.977750 0.283375 0.261125 O\n0.522250 0.738875 0.716625 O\n0.522250 0.738875 0.261125 O\n0.469448 0.265277 0.734724 O\n0.469448 0.265277 0.295828 O\n0.030552 0.704172 0.734724 O\n0.030552 0.265277 0.734724 O\n",
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{
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"created_at": "2022-09-04T14:37:19.692899Z",
"updated_at": "2022-09-04T14:37:19.692927Z",
"structure_string": "Sm2 Ta2 Cl2 O7\n1.0\n3.803255 -0.000015 -0.970803\n-0.693395 6.320550 -2.716182\n-0.003216 -0.012124 7.922167\nSm Ta Cl O\n2 2 2 7\ndirect\n0.306590 0.835112 0.613186 Sm\n0.693409 0.164889 0.386815 Sm\n0.965149 0.200237 0.930297 Ta\n0.034850 0.799765 0.069705 Ta\n0.678577 0.565109 0.357162 Cl\n0.321422 0.434893 0.642839 Cl\n0.453417 0.158534 0.906833 O\n0.546582 0.841468 0.093168 O\n0.917007 0.844747 0.834024 O\n0.000001 0.500000 0.000000 O\n0.823071 0.066405 0.646144 O\n0.082992 0.155255 0.165978 O\n0.176928 0.933596 0.353857 O\n",
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"density": 7.378481343626438,
"density_atomic": 0.06831854472687737,
"volume": 190.2850836763453,
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{
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"created_at": "2022-09-04T14:37:27.767190Z",
"updated_at": "2022-09-04T14:37:27.767199Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n3.178439 -0.349097 0.718256\n0.361981 6.960054 1.879686\n-0.144198 1.286133 8.741740\nMg Sb O\n1 4 8\ndirect\n0.267678 0.128562 0.013817 Mg\n0.369210 0.098856 0.688273 Sb\n0.140427 0.522149 0.283347 Sb\n0.861030 0.521448 0.817045 Sb\n0.582259 0.883156 0.397610 Sb\n0.984213 0.730533 0.580357 O\n0.386337 0.362941 0.758207 O\n0.582938 0.594385 0.395015 O\n0.034393 0.262407 0.488729 O\n0.839815 0.036396 0.872906 O\n0.750975 0.293115 0.039564 O\n0.162328 0.886166 0.230248 O\n0.335877 0.655982 0.865535 O\n",
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{
"id": "jvasp-49915",
"created_at": "2022-09-04T14:37:14.249315Z",
"updated_at": "2022-09-04T14:37:14.249349Z",
"structure_string": "Fe3 Sn2 S8\n1.0\n-5.039968 5.046403 -0.158549\n5.039968 -0.158549 5.046403\n5.039968 5.046403 -0.158549\nFe Sn S\n3 2 8\ndirect\n0.624046 0.254045 0.629999 Fe\n0.254613 0.500000 0.245387 Fe\n0.115955 0.745954 0.629999 Fe\n0.627366 0.262199 0.110434 Sn\n0.627365 0.737800 0.634834 Sn\n0.861486 0.256919 0.395433 S\n0.371230 0.224318 0.404450 S\n0.878562 0.293740 0.827696 S\n0.878562 0.706259 0.415179 S\n0.376928 0.230961 0.854035 S\n0.915003 0.769037 0.854035 S\n0.347647 0.743080 0.395433 S\n0.371229 0.775681 0.853089 S\n",
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"density_atomic": 0.0506933070253453,
"volume": 256.44410993941165,
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{
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"created_at": "2022-09-04T14:37:13.765153Z",
"updated_at": "2022-09-04T14:37:13.765173Z",
"structure_string": "Ca1 V4 O8\n1.0\n2.972196 -0.001414 -0.003461\n-1.482557 6.575072 0.264509\n-1.477650 -0.213052 7.154596\nCa V O\n1 4 8\ndirect\n0.496024 0.054616 0.934500 Ca\n0.198569 0.558419 0.835886 V\n0.378043 0.226014 0.527134 V\n0.659499 0.838801 0.477460 V\n0.842469 0.506439 0.175709 V\n0.470552 0.653623 0.284720 O\n0.174071 0.723415 0.622003 O\n0.869328 0.340068 0.395706 O\n0.568660 0.401176 0.733297 O\n0.842140 0.721228 0.960315 O\n0.872706 0.069144 0.673415 O\n0.194874 0.340520 0.046340 O\n0.179148 0.992817 0.362745 O\n",
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"formula_full": "Ca1 V4 O8",
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"formula_anonymous": "AB4C8",
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"spacegroup": 8
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{
"id": "jvasp-10566",
"created_at": "2022-09-04T14:37:15.257227Z",
"updated_at": "2022-09-04T14:37:15.257253Z",
"structure_string": "Ba3 As2 O8\n1.0\n5.427831 0.007704 5.759472\n2.291353 4.920479 5.759472\n0.012066 0.007704 7.914083\nBa As O\n3 2 8\ndirect\n0.794091 0.794089 0.794090 Ba\n0.205910 0.205909 0.205909 Ba\n0.000000 0.000000 0.000000 Ba\n0.592582 0.592580 0.592581 As\n0.407419 0.407418 0.407419 As\n0.672397 0.672396 0.672397 O\n0.327603 0.327603 0.327603 O\n0.726576 0.726575 0.243142 O\n0.726577 0.243141 0.726575 O\n0.243142 0.726575 0.726575 O\n0.273424 0.756858 0.273424 O\n0.273425 0.273423 0.756857 O\n0.756858 0.273423 0.273424 O\n",
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],
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"density": 5.435338156941546,
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{
"id": "jvasp-34153",
"created_at": "2022-09-04T14:37:20.129604Z",
"updated_at": "2022-09-04T14:37:20.129624Z",
"structure_string": "Tb6 Br7\n1.0\n3.693849 -0.000000 0.676512\n1.164623 9.735090 4.063714\n-0.042966 0.193085 10.657321\nTb Br\n6 7\ndirect\n0.128085 0.299782 0.444046 Tb\n0.871913 0.700217 0.555954 Tb\n0.319407 0.002075 0.359112 Tb\n0.680592 -0.002075 0.640888 Tb\n0.774362 0.300459 0.150816 Tb\n0.225636 0.699541 0.849183 Tb\n0.499999 0.500000 0.500000 Br\n0.048249 0.169783 0.733718 Br\n0.951750 0.830216 0.266282 Br\n0.163300 0.515318 0.158083 Br\n0.836699 0.484682 0.841917 Br\n0.397660 0.152451 0.052228 Br\n0.602339 0.847549 0.947771 Br\n",
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],
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{
"id": "jvasp-58491",
"created_at": "2022-09-04T14:37:05.722309Z",
"updated_at": "2022-09-04T14:37:05.722323Z",
"structure_string": "V4 Zn1 S8\n1.0\n5.818563 -0.004513 4.457571\n2.197841 5.387504 4.457571\n-0.006719 -0.004513 7.329774\nV Zn S\n4 1 8\ndirect\n0.500000 0.999999 0.500001 V\n0.999998 0.500000 0.500001 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.499999 0.500001 0.499999 Zn\n0.755041 0.257187 0.755042 S\n0.244956 0.244958 0.742814 S\n0.244956 0.742815 0.244957 S\n0.742812 0.244958 0.244958 S\n0.256497 0.256498 0.256497 S\n0.743502 0.743503 0.743502 S\n0.257187 0.755043 0.755042 S\n0.755043 0.755043 0.257186 S\n",
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],
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{
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"created_at": "2022-09-04T14:37:06.005891Z",
"updated_at": "2022-09-04T14:37:06.005911Z",
"structure_string": "Y1 Mn6 Sn6\n1.0\n2.729882 -4.728294 0.000000\n2.729882 4.728294 -0.000000\n0.000000 0.000000 8.965869\nY Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.751593 Mn\n0.000000 0.500000 0.248407 Mn\n0.500000 0.000000 0.248407 Mn\n0.500000 0.500000 0.248407 Mn\n0.500000 0.500000 0.751593 Mn\n0.000000 0.500000 0.751593 Mn\n0.333333 0.666666 0.500000 Sn\n0.666666 0.333333 0.500000 Sn\n0.333333 0.666666 0.000000 Sn\n0.666666 0.333333 0.000000 Sn\n0.000000 0.000000 0.332849 Sn\n0.000000 0.000000 0.667151 Sn\n",
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],
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"density": 8.112634435940791,
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"volume": 231.45721989182854,
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"formula_full": "Y1 Mn6 Sn6",
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},
{
"id": "jvasp-9543",
"created_at": "2022-09-04T14:37:27.398484Z",
"updated_at": "2022-09-04T14:37:27.398511Z",
"structure_string": "Ca2 Cr3 O8\n1.0\n4.743615 -0.001871 -1.485069\n-0.871885 5.181929 -2.791506\n-0.003982 -0.038305 6.271711\nCa Cr O\n2 3 8\ndirect\n0.667099 0.726408 0.452815 Ca\n0.332903 0.273593 0.547184 Ca\n0.500002 0.999999 -0.000000 Cr\n1.000001 0.738721 -0.000000 Cr\n1.000000 0.261280 0.000000 Cr\n0.045651 0.399577 0.799156 O\n0.954352 0.600421 0.200843 O\n0.093563 0.901176 0.802353 O\n0.906439 0.098823 0.197646 O\n0.392405 0.321826 0.203048 O\n0.392406 0.881222 0.203048 O\n0.607598 0.118776 0.796951 O\n0.607598 0.678174 0.796951 O\n",
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"formula_full": "Ca2 Cr3 O8",
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"spacegroup": 12
},
{
"id": "jvasp-11573",
"created_at": "2022-09-04T14:37:20.021147Z",
"updated_at": "2022-09-04T14:37:20.021174Z",
"structure_string": "Ca2 Co3 O8\n1.0\n4.715092 0.004466 -1.464399\n-0.850320 5.053760 -2.722461\n-0.009625 -0.011111 6.167101\nCa Co O\n2 3 8\ndirect\n0.670934 0.725404 0.450805 Ca\n0.329066 0.274598 0.549195 Ca\n0.500000 0.999999 0.000000 Co\n0.999999 0.743267 0.000000 Co\n0.999999 0.256734 0.000000 Co\n0.033596 0.397095 0.794189 O\n0.966404 0.602905 0.205811 O\n0.097857 0.904367 0.808734 O\n0.902144 0.095633 0.191266 O\n0.389496 0.320031 0.196369 O\n0.389496 0.876339 0.196369 O\n0.610505 0.123661 0.803632 O\n0.610505 0.679970 0.803632 O\n",
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],
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"volume": 146.75134160147903,
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"formula_full": "Ca2 Co3 O8",
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}
]
}