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{
"id": "jvasp-19111",
"created_at": "2022-09-04T14:37:05.035577Z",
"updated_at": "2022-09-04T14:37:05.035614Z",
"structure_string": "K4 B4 S14\n1.0\n6.408078 -0.000000 2.208989\n2.920458 7.289569 1.927139\n-0.035559 0.050369 10.502274\nK B S\n4 4 14\ndirect\n0.869322 0.315565 0.477694 K\n0.130678 0.684436 0.522306 K\n0.662580 0.184436 0.022306 K\n0.337421 0.815565 0.977694 K\n0.841257 0.617431 0.149087 B\n0.607774 0.882569 0.350912 B\n0.158744 0.382569 0.850912 B\n0.392226 0.117431 0.649087 B\n0.095543 0.112116 0.730501 S\n0.061840 0.612116 0.230501 S\n0.148791 0.624859 0.839127 S\n0.387223 0.124859 0.339127 S\n0.851209 0.375141 0.160873 S\n0.612777 0.875141 0.660873 S\n0.841029 0.757650 0.973794 S\n0.572474 0.742350 0.526206 S\n0.457597 0.250000 0.750000 S\n0.427526 0.257650 0.473794 S\n0.904458 0.887884 0.269499 S\n0.938160 0.387884 0.769498 S\n0.542404 0.750000 0.250000 S\n0.158971 0.242350 0.026206 S\n",
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{
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"structure_string": "Na2 As2 Se4\n1.0\n8.616898 -0.001186 -0.001226\n8.618346 6.901167 0.175323\n4.310012 4.678578 3.535700\nNa As Se\n2 2 4\ndirect\n-0.012817 -0.000028 0.000011 Na\n0.762817 0.500028 -0.000013 Na\n0.205217 0.499966 0.000032 As\n0.544783 0.000035 -0.000034 As\n-0.028586 0.525960 0.450240 Se\n0.473554 0.474104 0.549701 Se\n0.276446 0.025897 0.450298 Se\n0.778586 0.974042 0.549758 Se\n",
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{
"id": "jvasp-51357",
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"updated_at": "2022-09-04T14:37:05.490792Z",
"structure_string": "Yb4 S6\n1.0\n2.996746 3.720932 8.599055\n-2.470486 3.210859 3.980480\n-3.237267 -6.366314 -1.744018\nYb S\n4 6\ndirect\n0.165725 0.192994 0.732220 Yb\n0.834273 0.807007 0.267779 Yb\n0.433503 0.693001 0.267784 Yb\n0.566496 0.307000 0.732216 Yb\n0.567654 0.828311 0.757370 S\n0.884340 0.250001 0.768679 S\n0.189718 0.671690 0.757375 S\n0.432345 0.171690 0.242629 S\n0.115659 0.750000 0.231320 S\n0.810281 0.328311 0.242625 S\n",
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{
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"created_at": "2022-09-04T14:37:06.244374Z",
"updated_at": "2022-09-04T14:37:06.244407Z",
"structure_string": "Li4 Cu4 F10\n1.0\n5.519639 0.138512 0.000323\n0.142053 5.519549 -0.000323\n1.505320 -1.506286 6.881750\nLi Cu F\n4 4 10\ndirect\n0.262748 0.279708 0.021229 Li\n0.279708 0.262748 0.478771 Li\n0.720292 0.737252 0.521229 Li\n0.737252 0.720291 0.978771 Li\n0.191831 0.795961 0.119625 Cu\n0.204039 0.808169 0.619625 Cu\n0.795961 0.191830 0.380375 Cu\n0.808169 0.204038 0.880375 Cu\n0.721612 0.061640 0.120251 F\n0.500000 0.500000 0.500000 F\n0.500000 -0.000001 0.500000 F\n0.278387 0.938359 0.879749 F\n-0.000000 0.500000 0.000000 F\n0.169901 0.169901 0.250000 F\n0.061640 0.721612 0.379749 F\n0.830098 0.830098 0.750000 F\n0.500000 0.500000 0.000000 F\n0.938360 0.278387 0.620251 F\n",
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"formula_full": "Li4 Cu4 F10",
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{
"id": "jvasp-51779",
"created_at": "2022-09-04T14:37:06.001773Z",
"updated_at": "2022-09-04T14:37:06.001796Z",
"structure_string": "Ni2 H4 S2 O10\n1.0\n3.005952 3.835710 -1.559183\n-3.005952 3.835710 1.559183\n0.038447 0.000000 7.381810\nNi H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.429708 0.156732 0.797249 H\n0.156732 0.429707 0.702751 H\n0.570292 0.843268 0.202751 H\n0.843268 0.570292 0.297249 H\n0.841141 0.841140 0.750000 S\n0.158859 0.158859 0.250000 S\n0.384070 0.161345 0.158869 O\n0.161345 0.384069 0.341131 O\n0.615931 0.838655 0.841131 O\n0.838655 0.615930 0.658869 O\n0.120737 0.779079 0.908538 O\n0.879263 0.220920 0.091463 O\n0.779080 0.120737 0.591463 O\n0.368765 0.368765 0.750000 O\n0.220921 0.879263 0.408538 O\n0.631235 0.631235 0.250000 O\n",
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"elements": [
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"density_atomic": 0.10545815035195603,
"volume": 170.68382045320158,
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"formula_full": "Ni2 H4 S2 O10",
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{
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"created_at": "2022-09-04T14:37:06.008445Z",
"updated_at": "2022-09-04T14:37:06.008471Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n5.336013 0.162113 1.274346\n1.500823 7.085619 0.766569\n0.157827 0.080981 7.281115\nZn Si Sn O\n2 4 2 12\ndirect\n0.750000 0.299147 0.700854 Zn\n0.250001 0.700853 0.299149 Zn\n0.219849 0.171027 0.360228 Si\n0.280150 0.639772 0.828974 Si\n0.719848 0.360227 0.171028 Si\n0.780151 0.828973 0.639773 Si\n0.249999 0.154927 0.845075 Sn\n0.749998 0.845075 0.154927 Sn\n0.667791 0.056900 0.656961 O\n0.832209 0.343038 0.943101 O\n0.617840 0.580286 0.237391 O\n0.882158 0.762611 0.419715 O\n0.382158 0.419713 0.762611 O\n0.037318 0.751017 0.731125 O\n0.962680 0.248983 0.268877 O\n0.537319 0.731124 0.751019 O\n0.332207 0.943100 0.343040 O\n0.462682 0.268877 0.248983 O\n0.117842 0.237389 0.580286 O\n0.167792 0.656961 0.056901 O\n",
"nsites": 20,
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"formula_full": "Zn2 Si4 Sn2 O12",
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{
"id": "jvasp-12521",
"created_at": "2022-09-04T14:37:06.060270Z",
"updated_at": "2022-09-04T14:37:06.060297Z",
"structure_string": "Hg8 Cl4 O4\n1.0\n6.027899 0.000000 0.000000\n-3.013949 5.842823 -1.610186\n0.000000 0.044483 9.652417\nHg Cl O\n8 4 4\ndirect\n0.143076 0.895503 0.603756 Hg\n0.247572 0.104496 0.896244 Hg\n0.856924 0.104496 0.396244 Hg\n0.752427 0.895503 0.103756 Hg\n0.592991 -0.000000 0.750000 Hg\n0.407009 -0.000000 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n0.487238 0.389666 0.145673 Cl\n0.097572 0.610334 0.354327 Cl\n0.512761 0.610333 0.854327 Cl\n0.902427 0.389665 0.645673 Cl\n0.254095 0.156910 0.439734 O\n0.097184 0.843089 0.060265 O\n0.745905 0.843089 0.560265 O\n0.902816 0.156910 0.939734 O\n",
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"elements": [
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"formula_full": "Hg8 Cl4 O4",
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{
"id": "jvasp-21295",
"created_at": "2022-09-04T14:37:06.300231Z",
"updated_at": "2022-09-04T14:37:06.300259Z",
"structure_string": "Mg2 Ti2 Si4 O12\n1.0\n4.822602 -0.148801 0.834201\n0.949118 6.494256 0.618247\n-0.281122 0.077714 6.585845\nMg Ti Si O\n2 2 4 12\ndirect\n0.750000 0.275612 0.724388 Mg\n0.250001 0.724388 0.275614 Mg\n0.249999 0.069927 0.930074 Ti\n0.749999 0.930075 0.069927 Ti\n0.287894 0.209979 0.402044 Si\n0.212105 0.597956 0.790022 Si\n0.787894 0.402044 0.209979 Si\n0.712106 0.790021 0.597957 Si\n0.648066 0.966588 0.760664 O\n0.851934 0.239336 0.033412 O\n0.631347 0.623672 0.146847 O\n0.868652 0.853155 0.376329 O\n0.368653 0.376327 0.853154 O\n-0.092718 0.582829 0.700665 O\n0.092718 0.417171 0.299336 O\n0.407283 0.700664 0.582831 O\n0.351933 0.033412 0.239337 O\n0.592718 0.299337 0.417170 O\n0.131348 0.146845 0.623672 O\n0.148067 0.760664 0.966589 O\n",
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{
"id": "jvasp-60701",
"created_at": "2022-09-04T14:37:06.765289Z",
"updated_at": "2022-09-04T14:37:06.765316Z",
"structure_string": "Zn2 W2 O8\n1.0\n4.815444 0.045730 -0.001182\n-0.498488 4.840177 -0.000336\n-2.157203 -2.442298 6.381916\nZn W O\n2 2 8\ndirect\n0.369833 0.619817 0.239643 Zn\n0.630167 0.380184 0.760358 Zn\n0.838901 0.088893 0.177781 W\n0.161098 0.911107 0.822219 W\n0.871087 0.593776 0.651362 O\n0.507400 0.266795 0.089169 O\n0.719753 0.942405 0.348630 O\n0.918221 0.177629 0.910833 O\n0.128912 0.406224 0.348638 O\n0.280247 0.057596 0.651370 O\n0.492600 0.733206 0.910831 O\n0.081778 0.822371 0.089167 O\n",
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{
"id": "jvasp-52874",
"created_at": "2022-09-04T14:37:06.351986Z",
"updated_at": "2022-09-04T14:37:06.352010Z",
"structure_string": "Ba2 H8 Br4 O4\n1.0\n4.828167 3.545454 -2.090145\n-4.828167 3.545454 2.090145\n-0.007890 0.000000 8.367172\nBa H Br O\n2 8 4 4\ndirect\n0.899191 0.899191 0.750000 Ba\n0.100808 0.100808 0.250000 Ba\n0.604941 0.753266 0.368133 H\n0.395058 0.246733 0.631867 H\n0.246733 0.395058 0.868132 H\n0.753266 0.604941 0.131867 H\n0.590354 0.767336 0.049572 H\n0.232663 0.409645 0.549572 H\n0.409645 0.232663 0.950428 H\n0.767336 0.590354 0.450428 H\n0.741728 0.304926 0.852481 Br\n0.304926 0.741728 0.647519 Br\n0.258271 0.695073 0.147519 Br\n0.695073 0.258271 0.352481 Br\n0.748509 0.762709 0.058287 O\n0.251490 0.237290 0.941712 O\n0.237290 0.251490 0.558287 O\n0.762709 0.748509 0.441712 O\n",
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"formula_full": "Ba2 H8 Br4 O4",
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{
"id": "jvasp-21299",
"created_at": "2022-09-04T14:37:06.383862Z",
"updated_at": "2022-09-04T14:37:06.383882Z",
"structure_string": "Ca2 Si4 Sn2 O12\n1.0\n5.351793 0.016890 1.121452\n1.292868 7.098385 0.742865\n-0.049108 0.099068 7.252462\nCa Si Sn O\n2 4 2 12\ndirect\n0.749999 0.331511 0.668490 Ca\n0.250001 0.668490 0.331512 Ca\n0.246491 0.176687 0.375734 Si\n0.253507 0.624267 0.823313 Si\n0.746491 0.375734 0.176687 Si\n0.753508 0.823313 0.624266 Si\n0.249999 0.121757 0.878244 Sn\n0.749999 0.878246 0.121756 Sn\n0.666011 0.030989 0.697835 O\n0.833988 0.302164 0.969011 O\n0.658161 0.602105 0.184394 O\n0.841838 0.815608 0.397895 O\n0.341838 0.397895 0.815606 O\n0.023295 0.694838 0.692079 O\n-0.023296 0.305163 0.307921 O\n0.523295 0.692079 0.694838 O\n0.333987 0.969012 0.302165 O\n0.476705 0.307922 0.305162 O\n0.158162 0.184393 0.602105 O\n0.166013 0.697837 0.030989 O\n",
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"volume": 275.49612728952195,
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"formula_full": "Ca2 Si4 Sn2 O12",
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{
"id": "jvasp-45396",
"created_at": "2022-09-04T14:37:06.455325Z",
"updated_at": "2022-09-04T14:37:06.455341Z",
"structure_string": "Al4 Ge4 O14\n1.0\n5.166484 -0.001359 -1.268531\n-0.761190 5.110103 -1.268531\n0.004569 0.005299 9.817912\nAl Ge O\n4 4 14\ndirect\n0.595630 0.748477 0.979419 Al\n0.251523 0.404370 0.520580 Al\n0.404369 0.251523 0.020580 Al\n0.748477 0.595630 0.479419 Al\n0.509407 0.007201 0.705123 Ge\n0.490593 0.992798 0.294877 Ge\n0.007201 0.509407 0.205123 Ge\n0.992798 0.490593 0.794877 Ge\n0.141035 0.278181 0.099635 O\n0.721818 0.858964 0.400365 O\n0.858964 0.721818 0.900365 O\n0.981947 0.437894 0.371835 O\n0.836386 0.163614 0.750000 O\n0.518790 0.681778 0.602911 O\n0.318221 0.481210 0.897089 O\n0.481210 0.318221 0.397089 O\n0.681778 0.518790 0.102911 O\n0.437894 0.981947 0.871835 O\n0.018052 0.562105 0.628165 O\n0.562105 0.018052 0.128165 O\n0.163613 0.836386 0.250000 O\n0.278181 0.141035 0.599635 O\n",
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"elements": [
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],
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}
]
}