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{
"id": "jvasp-112273",
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"structure_string": "B2 H2 Pb4 O8\n1.0\n6.451281 0.021736 2.871472\n3.917867 5.125409 2.871472\n0.018578 0.009222 7.385748\nB H Pb O\n2 2 4 8\ndirect\n0.329002 0.329002 0.655519 B\n0.670998 0.670999 0.344480 B\n0.460182 0.460182 0.377458 H\n0.539818 0.539818 0.622541 H\n0.052736 0.052735 0.731536 Pb\n0.947264 0.947265 0.268463 Pb\n0.658865 0.658865 0.920624 Pb\n0.341136 0.341136 0.079376 Pb\n0.408136 0.408136 0.732307 O\n0.591864 0.591864 0.267692 O\n0.371012 0.371012 0.442980 O\n0.628989 0.628989 0.557019 O\n0.213097 0.213096 0.781691 O\n0.786904 0.786904 0.218309 O\n0.744810 0.255190 -0.000000 O\n0.255190 0.744811 -0.000000 O\n",
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{
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"structure_string": "Li4 H8 N4\n1.0\n4.519140 0.000000 -1.991410\n-0.877537 4.433120 -1.991410\n0.038559 0.046940 6.210887\nLi H N\n4 8 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.007721 0.507722 0.015443 Li\n0.492278 0.992278 0.984557 Li\n0.000000 0.000000 0.000000 Li\n0.704331 0.792634 0.249859 H\n0.542774 0.295668 0.750142 H\n0.207366 0.454473 0.750142 H\n0.545527 0.457226 0.249859 H\n0.963166 0.084099 0.384169 H\n0.421004 0.300070 0.384169 H\n0.915901 0.578996 0.615831 H\n0.699930 0.036834 0.615832 H\n0.348698 0.361342 0.232782 N\n0.128559 0.651302 0.767219 N\n0.638658 0.115915 0.767219 N\n0.884084 0.871441 0.232782 N\n",
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{
"id": "jvasp-30453",
"created_at": "2022-09-04T14:38:07.201123Z",
"updated_at": "2022-09-04T14:38:07.201159Z",
"structure_string": "Ga4 H4 O8\n1.0\n13.774404 0.000000 0.000000\n0.000000 3.036131 -0.000000\n0.000000 -0.000000 3.831745\nGa H O\n4 4 8\ndirect\n0.183499 0.750000 0.405266 Ga\n0.316501 0.250000 0.905265 Ga\n0.683499 0.750000 0.094733 Ga\n0.816500 0.250000 0.594733 Ga\n0.050842 0.250000 0.621461 H\n0.449158 0.750000 0.121461 H\n0.550842 0.250000 0.878537 H\n0.949158 0.750000 0.378538 H\n0.089071 0.250000 0.405146 O\n0.286479 0.250000 0.407564 O\n0.213521 0.750000 0.907563 O\n0.410929 0.750000 0.905146 O\n0.589071 0.250000 0.094853 O\n0.786479 0.250000 0.092436 O\n0.713521 0.750000 0.592435 O\n0.910929 0.750000 0.594852 O\n",
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{
"id": "jvasp-9476",
"created_at": "2022-09-04T14:38:30.441886Z",
"updated_at": "2022-09-04T14:38:30.441906Z",
"structure_string": "Ca2 Ti2 P2 O10\n1.0\n5.535560 -0.049955 0.007733\n-1.527625 5.326572 0.005198\n-1.616541 -2.132598 6.441040\nCa Ti P O\n2 2 2 10\ndirect\n0.336749 0.167788 0.757262 Ca\n0.669219 0.833352 0.259377 Ca\n0.002961 0.500567 0.508367 Ti\n0.002974 0.500538 0.008367 Ti\n0.682235 0.821873 0.758440 P\n0.323693 0.179237 0.258265 P\n0.671283 0.610038 0.872968 O\n0.894976 0.832974 0.644336 O\n0.334664 0.391072 0.143739 O\n0.110942 0.168148 0.372360 O\n0.593887 0.239892 0.422038 O\n0.264362 0.908759 0.095585 O\n0.412036 0.761237 0.594686 O\n0.741569 0.092336 0.921141 O\n0.922001 0.581170 0.258421 O\n0.083934 0.419935 0.758301 O\n",
"nsites": 16,
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"elements": [
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"formula_full": "Ca2 Ti2 P2 O10",
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{
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"created_at": "2022-09-04T14:38:13.094055Z",
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"structure_string": "V4 O8 F4\n1.0\n4.907991 0.000000 0.000000\n0.000000 5.115468 0.000000\n0.000000 0.000000 8.524639\nV O F\n4 8 4\ndirect\n0.131752 0.624011 0.126137 V\n0.368248 0.375989 0.626137 V\n0.631752 0.875989 0.873864 V\n0.868247 0.124011 0.373863 V\n0.063481 0.864815 0.257785 O\n0.922248 0.649692 0.973197 O\n0.577751 0.350308 0.473197 O\n0.436519 0.135186 0.757785 O\n0.563481 0.635186 0.742215 O\n0.422249 0.850309 0.026803 O\n0.077751 0.149692 0.526803 O\n0.936519 0.364815 0.242215 O\n0.099675 0.614028 0.616652 F\n0.400325 0.385972 0.116652 F\n0.599675 0.885973 0.383348 F\n0.900325 0.114028 0.883348 F\n",
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{
"id": "jvasp-21608",
"created_at": "2022-09-04T14:38:30.081122Z",
"updated_at": "2022-09-04T14:38:30.081143Z",
"structure_string": "Ho10 Ni4 Sb2\n1.0\n6.800313 -0.000000 -3.369566\n-1.669625 6.592162 -3.369566\n-0.038227 -0.049117 8.469683\nHo Ni Sb\n10 4 2\ndirect\n0.207328 0.018773 0.726101 Ho\n0.018772 0.518773 0.726100 Ho\n0.707327 0.207328 0.726100 Ho\n0.981226 0.481227 0.273897 Ho\n0.518772 0.707328 0.726100 Ho\n0.792670 0.981227 0.273897 Ho\n0.481226 0.292671 0.273898 Ho\n0.292671 0.792671 0.273898 Ho\n0.499999 0.500000 -0.000001 Ho\n0.000000 0.000000 0.000000 Ho\n0.366433 0.866434 -0.000001 Ni\n0.133566 0.366434 -0.000000 Ni\n0.633566 0.133566 -0.000001 Ni\n0.866433 0.633566 -0.000001 Ni\n0.249999 0.250000 0.499999 Sb\n0.749999 0.750000 0.499998 Sb\n",
"nsites": 16,
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"volume": 377.43450262175963,
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"formula_full": "Ho10 Ni4 Sb2",
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{
"id": "jvasp-10785",
"created_at": "2022-09-04T14:38:06.143588Z",
"updated_at": "2022-09-04T14:38:06.143609Z",
"structure_string": "Li4 Ga4 Se8\n1.0\n6.615319 0.000000 0.000000\n0.000000 6.909057 0.000000\n0.000000 0.000000 8.238141\nLi Ga Se\n4 4 8\ndirect\n0.120287 0.911983 0.622022 Li\n0.620287 0.088017 0.377978 Li\n0.620287 0.588017 0.122022 Li\n0.120287 0.411983 0.877978 Li\n0.622584 0.574566 0.625934 Ga\n0.122584 0.425434 0.374065 Ga\n0.122584 0.925435 0.125934 Ga\n0.622584 0.074566 0.874065 Ga\n0.502953 0.908937 0.631127 Se\n0.002953 0.091063 0.368873 Se\n0.002953 0.591064 0.131127 Se\n0.502953 0.408937 0.868872 Se\n0.992176 0.069713 0.878454 Se\n0.492176 0.930287 0.121546 Se\n0.492176 0.430287 0.378454 Se\n0.992176 0.569713 0.621546 Se\n",
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},
{
"id": "jvasp-44489",
"created_at": "2022-09-04T14:38:13.243313Z",
"updated_at": "2022-09-04T14:38:13.243339Z",
"structure_string": "Al8 C4 O4\n1.0\n5.123921 0.000000 0.000000\n0.000000 5.638332 0.000000\n0.000000 0.000000 6.310651\nAl C O\n8 4 4\ndirect\n0.104452 0.419644 0.882190 Al\n0.598463 0.077670 0.866219 Al\n0.104452 0.919644 0.617810 Al\n0.598463 0.577670 0.633780 Al\n0.098463 0.422330 0.366219 Al\n0.604452 0.080356 0.382190 Al\n0.098463 0.922330 0.133781 Al\n0.604452 0.580356 0.117810 Al\n0.482622 0.399284 0.876410 C\n0.482622 0.899284 0.623590 C\n0.982622 0.100716 0.376410 C\n0.982622 0.600716 0.123590 C\n0.980460 0.079600 0.876003 O\n0.980460 0.579600 0.623997 O\n0.480460 0.420400 0.376003 O\n0.480460 0.920400 0.123997 O\n",
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],
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{
"id": "jvasp-13792",
"created_at": "2022-09-04T14:38:06.430530Z",
"updated_at": "2022-09-04T14:38:06.430546Z",
"structure_string": "S8 Cl8\n1.0\n4.577579 0.000000 1.019962\n2.288789 8.516182 0.509981\n-0.032886 -0.000000 10.929631\nS Cl\n8 8\ndirect\n0.381581 0.355771 0.867534 S\n0.604887 0.644228 0.132466 S\n0.487352 0.144228 0.367534 S\n-0.000884 0.855771 0.632466 S\n0.527470 0.539043 0.816273 S\n0.882787 0.460956 0.183727 S\n0.816514 0.960956 0.316273 S\n0.093744 0.039044 0.683727 S\n0.631252 0.230747 0.000052 Cl\n0.862053 0.769253 -0.000053 Cl\n0.612000 0.269253 0.500052 Cl\n0.381305 0.730747 0.499947 Cl\n0.918466 0.467977 0.670059 Cl\n0.056502 0.532023 0.329941 Cl\n0.136443 0.032023 0.170059 Cl\n0.338525 0.967977 0.829941 Cl\n",
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{
"id": "jvasp-36725",
"created_at": "2022-09-04T14:38:06.430017Z",
"updated_at": "2022-09-04T14:38:06.430045Z",
"structure_string": "K2 Ca2 Si2 H2 O8\n1.0\n0.000000 5.581167 0.014934\n7.470569 0.000000 0.000000\n0.000000 -2.703286 -4.941661\nK Ca Si H O\n2 2 2 2 8\ndirect\n0.356836 0.765507 0.721274 K\n0.643164 0.265507 0.278727 K\n0.995009 0.513349 0.006024 Ca\n0.004991 0.013349 0.993977 Ca\n0.679058 0.755268 0.372354 Si\n0.320942 0.255268 0.627647 Si\n0.963881 0.998239 0.464548 H\n0.036119 0.498239 0.535453 H\n0.344797 0.764360 0.212898 O\n0.655203 0.264360 0.787103 O\n0.812503 0.759739 0.703952 O\n0.187497 0.259739 0.296049 O\n0.804612 0.588168 0.277045 O\n0.195388 0.088168 0.722956 O\n0.810843 0.938370 0.291403 O\n0.189157 0.438370 0.708598 O\n",
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"formula_full": "K2 Ca2 Si2 H2 O8",
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{
"id": "jvasp-20161",
"created_at": "2022-09-04T14:38:13.634678Z",
"updated_at": "2022-09-04T14:38:13.634694Z",
"structure_string": "Al6 Pt10\n1.0\n4.003127 0.000000 0.000000\n0.000000 5.473913 0.000000\n0.000000 0.000000 10.917031\nAl Pt\n6 10\ndirect\n0.500000 0.179137 0.640136 Al\n0.500000 0.820862 0.359863 Al\n0.500000 0.679137 0.859863 Al\n0.500000 0.320863 0.140136 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.292428 0.393099 Pt\n0.500000 0.707572 0.606901 Pt\n0.500000 0.792427 0.106901 Pt\n0.500000 0.207572 0.893099 Pt\n0.000000 0.426010 0.729348 Pt\n0.000000 0.573989 0.270651 Pt\n0.000000 0.926010 0.770651 Pt\n0.000000 0.073990 0.229348 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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},
{
"id": "jvasp-44373",
"created_at": "2022-09-04T14:38:08.672899Z",
"updated_at": "2022-09-04T14:38:08.672915Z",
"structure_string": "Li4 Al2 Fe2 O8\n1.0\n4.996034 0.000808 0.000290\n-0.001063 5.413930 0.000275\n-0.004447 -0.000244 6.333841\nLi Al Fe O\n4 2 2 8\ndirect\n0.501132 0.668706 0.749779 Li\n0.001188 0.833014 0.502021 Li\n0.001153 0.330733 0.249786 Li\n0.501208 0.166421 0.002009 Li\n0.996080 0.832642 0.000313 Al\n0.496083 0.166793 0.500306 Al\n0.997844 0.333384 0.752614 Fe\n0.497836 0.666050 0.252612 Fe\n0.102662 0.146404 0.992684 O\n0.103685 0.668468 0.770807 O\n0.618920 0.317479 0.731891 O\n0.138410 0.178764 0.509341 O\n0.602653 0.853035 0.492678 O\n0.603689 0.330974 0.270796 O\n0.118913 0.681960 0.231901 O\n0.638405 0.820675 0.009337 O\n",
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}
]
}