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{
"id": "jvasp-25661",
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"structure_string": "Rb8 Ag4 Sb4 S16\n1.0\n0.000000 8.205901 -0.078401\n10.859929 0.000000 0.000000\n0.000000 -7.838903 -10.294214\nRb Ag Sb S\n8 4 4 16\ndirect\n0.112803 0.988318 0.735940 Rb\n0.636057 0.729107 0.995142 Rb\n0.636057 0.770894 0.495142 Rb\n0.112803 0.511682 0.235940 Rb\n0.363943 0.229107 0.504857 Rb\n0.363942 0.270893 0.004857 Rb\n0.887197 0.011682 0.264060 Rb\n0.887197 0.488318 0.764060 Rb\n0.350795 0.030166 0.228523 Ag\n0.649205 0.969834 0.771476 Ag\n0.350795 0.469834 0.728523 Ag\n0.649205 0.530166 0.271476 Ag\n0.178572 0.774844 0.037208 Sb\n0.821428 0.225156 0.962792 Sb\n0.178572 0.725156 0.537207 Sb\n0.821428 0.274844 0.462792 Sb\n0.164976 0.816751 0.212553 S\n0.688213 0.072248 0.444524 S\n0.835023 0.183249 0.787447 S\n0.152266 0.227681 0.163485 S\n0.847733 0.772319 0.836514 S\n0.611380 0.067252 0.950694 S\n0.688213 0.427752 0.944523 S\n0.164976 0.683250 0.712553 S\n0.152266 0.272319 0.663485 S\n0.611380 0.432748 0.450694 S\n0.311787 0.572248 0.055476 S\n0.311787 0.927752 0.555476 S\n0.847733 0.727681 0.336514 S\n0.835023 0.316751 0.287447 S\n0.388620 0.567252 0.549306 S\n0.388619 0.932748 0.049306 S\n",
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{
"id": "jvasp-25590",
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"structure_string": "Rb2 Be4 P6 O20\n1.0\n6.980231 0.002572 2.814560\n1.497964 6.817604 2.814560\n0.016434 0.013220 8.933679\nRb Be P O\n2 4 6 20\ndirect\n0.302153 0.697845 0.750000 Rb\n0.697846 0.302154 0.250000 Rb\n0.299205 0.216636 0.059930 Be\n0.700794 0.783363 0.940071 Be\n0.783363 0.700795 0.440071 Be\n0.216636 0.299205 0.559930 Be\n0.492776 0.869963 0.256915 P\n0.887399 0.112600 0.750000 P\n0.112599 0.887399 0.250000 P\n0.507223 0.130036 0.743085 P\n0.130036 0.507223 0.243085 P\n0.869963 0.492776 0.756916 P\n0.461507 0.088990 0.165106 O\n0.573627 0.810610 0.404370 O\n0.823903 0.270415 0.850420 O\n0.085744 0.128436 0.623205 O\n0.426372 0.189389 0.595631 O\n0.911009 0.538492 0.334894 O\n0.538492 0.911009 0.834895 O\n0.128436 0.085744 0.123205 O\n0.729584 0.176096 0.649581 O\n0.088990 0.461507 0.665106 O\n0.810610 0.573627 0.904370 O\n0.176096 0.729584 0.149581 O\n0.914255 0.871563 0.376796 O\n0.270414 0.823903 0.350420 O\n0.189389 0.426372 0.095631 O\n0.739571 0.598206 0.640733 O\n0.598206 0.739572 0.140733 O\n0.401793 0.260428 0.859268 O\n0.260427 0.401794 0.359268 O\n0.871563 0.914255 0.876796 O\n",
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{
"id": "jvasp-20954",
"created_at": "2022-09-04T14:38:17.627878Z",
"updated_at": "2022-09-04T14:38:17.627901Z",
"structure_string": "Tl8 Ga8 S16\n1.0\n7.292076 -0.006815 0.878669\n-0.099086 7.291406 0.878669\n0.032644 0.033060 15.247429\nTl Ga S\n8 8 16\ndirect\n0.651457 0.274718 0.890902 Tl\n0.348543 0.725283 0.109098 Tl\n0.274717 0.651458 0.390902 Tl\n0.276777 0.154400 0.385704 Tl\n0.845600 0.723224 0.114296 Tl\n0.723222 0.845601 0.614296 Tl\n0.154399 0.276778 0.885704 Tl\n0.725283 0.348544 0.609098 Tl\n0.081675 0.209624 0.162098 Ga\n0.790644 0.413763 0.336808 Ga\n0.413762 0.790645 0.836808 Ga\n0.209355 0.586238 0.663192 Ga\n0.209624 0.081676 0.662098 Ga\n0.918324 0.790377 0.837902 Ga\n0.790375 0.918325 0.337902 Ga\n0.586238 0.209357 0.163192 Ga\n0.143301 0.768500 0.930640 S\n0.445505 0.554495 0.750000 S\n0.554494 0.445506 0.250000 S\n0.930598 0.069403 0.750000 S\n0.230490 0.357691 0.571887 S\n0.357691 0.230490 0.071887 S\n0.769510 0.642310 0.428113 S\n0.446008 0.069541 0.748708 S\n0.930459 0.553993 0.751292 S\n0.553992 0.930460 0.251292 S\n0.069540 0.446008 0.248708 S\n0.768499 0.143302 0.430640 S\n0.856699 0.231502 0.069360 S\n0.231500 0.856699 0.569360 S\n0.069401 0.930599 0.250000 S\n0.642309 0.769511 0.928113 S\n",
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"formula_full": "Tl8 Ga8 S16",
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{
"id": "jvasp-24335",
"created_at": "2022-09-04T14:38:17.146016Z",
"updated_at": "2022-09-04T14:38:17.146044Z",
"structure_string": "Na8 Ti2 As4 O18\n1.0\n6.600197 -0.000000 -3.005680\n-0.015473 7.761373 -0.033977\n0.000529 0.001906 8.750713\nNa Ti As O\n8 2 4 18\ndirect\n0.254867 0.000000 0.000000 Na\n0.370208 0.274529 0.740416 Na\n0.108004 0.230790 0.216008 Na\n0.891996 0.769210 0.783991 Na\n0.500000 0.500000 0.500000 Na\n0.745134 0.000000 0.000000 Na\n0.629793 0.725471 0.259584 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.389586 0.759440 0.779172 As\n0.129608 0.719502 0.259215 As\n0.870393 0.280498 0.740785 As\n0.610414 0.240560 0.220827 As\n0.758853 0.928850 0.517703 O\n0.343366 0.562478 0.686731 O\n0.383118 0.784833 0.367813 O\n0.504697 0.217104 0.009393 O\n0.140901 0.503214 0.281800 O\n0.241148 0.071150 0.482296 O\n0.984696 0.784833 0.367813 O\n0.838816 0.125990 0.283143 O\n0.495304 0.782896 0.990607 O\n0.161185 0.874010 0.716857 O\n0.015304 0.215167 0.632186 O\n0.616882 0.215167 0.632186 O\n0.859100 0.496786 0.718199 O\n0.555673 0.874010 0.716857 O\n0.965168 0.181742 0.930334 O\n0.444328 0.125990 0.283143 O\n0.034833 0.818258 0.069665 O\n0.656635 0.437523 0.313269 O\n",
"nsites": 32,
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],
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"formula_full": "Na8 Ti2 As4 O18",
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},
{
"id": "jvasp-4435",
"created_at": "2022-09-04T14:38:29.357579Z",
"updated_at": "2022-09-04T14:38:29.357600Z",
"structure_string": "Na8 As8 O16\n1.0\n5.152900 0.000000 0.000000\n0.000000 6.811747 0.000000\n0.000000 0.000000 14.285454\nNa As O\n8 8 16\ndirect\n0.246491 0.100320 0.946464 Na\n0.746491 0.399681 0.946464 Na\n0.253509 0.100320 0.446464 Na\n0.753509 0.899681 0.053536 Na\n0.753509 0.399681 0.446464 Na\n0.253509 0.600320 0.053536 Na\n0.746491 0.899681 0.553536 Na\n0.246491 0.600320 0.553536 Na\n0.762758 0.897041 0.326621 As\n0.237242 0.602960 0.826620 As\n0.737242 0.397040 0.673379 As\n0.262758 0.102960 0.173379 As\n0.237242 0.102960 0.673379 As\n0.762758 0.397040 0.173379 As\n0.262758 0.602960 0.326621 As\n0.737242 0.897041 0.826620 As\n0.295392 0.925112 0.590194 O\n0.795392 0.074889 0.909805 O\n0.204608 0.425112 0.409805 O\n0.295392 0.425112 0.909805 O\n0.704608 0.074889 0.409805 O\n0.204608 0.925112 0.090195 O\n0.069985 0.808879 0.380693 O\n0.430015 0.308879 0.619307 O\n0.930015 0.691122 0.880693 O\n0.930015 0.191121 0.619307 O\n0.430015 0.808879 0.880693 O\n0.569985 0.691122 0.380693 O\n0.069985 0.308879 0.119307 O\n0.704608 0.574889 0.090195 O\n0.569985 0.191121 0.119307 O\n0.795392 0.574889 0.590194 O\n",
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{
"id": "jvasp-20846",
"created_at": "2022-09-04T14:38:29.094913Z",
"updated_at": "2022-09-04T14:38:29.094935Z",
"structure_string": "Li12 Ta4 O16\n1.0\n5.720644 -0.004213 -1.934621\n-0.660200 5.682421 -1.934621\n-0.027546 -0.030908 9.314625\nLi Ta O\n12 4 16\ndirect\n0.942962 0.696664 0.137252 Li\n0.057037 0.303336 0.862748 Li\n0.696663 0.942962 0.637251 Li\n0.303336 0.057038 0.362748 Li\n0.805442 0.568586 0.387214 Li\n0.431414 0.194557 0.112786 Li\n0.194557 0.431414 0.612786 Li\n0.568585 0.805443 0.887214 Li\n0.561154 0.359275 0.874894 Li\n0.640724 0.438845 0.625105 Li\n0.438845 0.640725 0.125106 Li\n0.359275 0.561155 0.374894 Li\n0.937813 0.222034 0.124793 Ta\n0.777966 0.062186 0.375207 Ta\n0.222033 0.937814 0.624793 Ta\n0.062185 0.777966 0.875206 Ta\n0.957911 0.709290 0.636203 O\n0.290710 0.042087 0.863796 O\n0.042087 0.290710 0.363797 O\n0.709289 0.957913 0.136203 O\n0.696579 0.424556 0.117874 O\n0.575444 0.303421 0.382126 O\n0.303420 0.575444 0.882125 O\n0.424555 0.696579 0.617874 O\n0.430496 0.180516 0.632176 O\n0.819483 0.569503 0.867824 O\n0.569502 0.819484 0.367824 O\n0.180515 0.430497 0.132176 O\n0.948619 0.167544 0.613855 O\n0.167543 0.948619 0.113855 O\n0.051380 0.832456 0.386145 O\n0.832455 0.051381 0.886144 O\n",
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{
"id": "jvasp-112144",
"created_at": "2022-09-04T14:38:44.652926Z",
"updated_at": "2022-09-04T14:38:44.652944Z",
"structure_string": "Mg2 H12 C10 O8\n1.0\n4.775671 0.003215 -0.116741\n-0.737323 6.051150 -0.943803\n0.068848 0.010499 8.837872\nMg H C O\n2 12 10 8\ndirect\n0.798590 0.729212 0.753872 Mg\n0.298598 0.229206 0.753864 Mg\n0.045365 0.240381 0.268672 H\n0.545361 0.740381 0.268666 H\n0.789121 0.008489 0.229520 H\n0.289120 0.508489 0.229516 H\n0.953785 0.677164 0.395640 H\n0.453781 0.177169 0.395637 H\n0.101572 0.941781 0.382548 H\n0.775228 0.453210 0.117836 H\n0.275222 0.953211 0.117834 H\n0.481260 0.249471 0.097226 H\n0.981246 0.749477 0.097231 H\n0.601576 0.441785 0.382549 H\n0.318314 0.689332 0.249261 C\n0.711779 0.274622 0.106875 C\n0.211767 0.774624 0.106876 C\n0.818317 0.189333 0.249263 C\n0.658597 0.276122 0.389991 C\n0.803937 0.305026 0.546610 C\n0.825087 0.170844 0.957809 C\n0.325057 0.670844 0.957805 C\n0.303938 0.805030 0.546610 C\n0.158599 0.776120 0.389990 C\n0.157299 0.884716 0.660161 O\n0.555839 0.769087 0.562564 O\n0.055841 0.269097 0.562563 O\n0.153878 0.578759 0.847137 O\n0.653916 0.078720 0.847145 O\n0.591098 0.675719 0.946647 O\n0.091133 0.175763 0.946650 O\n0.657289 0.384698 0.660165 O\n",
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},
{
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"created_at": "2022-09-04T14:38:36.838031Z",
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"structure_string": "Tl16 Sn4 S12\n1.0\n8.125856 0.000000 0.000000\n0.000000 8.125856 0.000000\n0.000000 0.000000 13.656656\nTl Sn S\n16 4 12\ndirect\n0.145966 0.155633 0.602367 Tl\n0.854034 0.155633 0.102367 Tl\n0.145966 0.844367 0.102367 Tl\n0.155633 0.854034 0.397633 Tl\n0.844367 0.145966 0.397633 Tl\n0.344367 0.354034 0.102367 Tl\n0.645966 0.655634 0.397633 Tl\n0.354034 0.344367 0.397633 Tl\n0.655634 0.645966 0.102367 Tl\n0.645966 0.344367 0.897634 Tl\n0.354034 0.655634 0.897634 Tl\n0.344367 0.645966 0.602367 Tl\n0.655634 0.354034 0.602367 Tl\n0.155633 0.145966 0.897634 Tl\n0.854034 0.844367 0.602367 Tl\n0.844367 0.854034 0.897634 Tl\n0.500000 0.000000 0.743406 Sn\n0.000000 0.500000 0.756594 Sn\n0.000000 0.500000 0.256594 Sn\n0.500000 0.000000 0.243406 Sn\n0.000000 0.500000 0.570054 S\n0.666631 0.333370 0.250000 S\n0.500000 0.000000 0.429946 S\n0.166631 0.166631 0.250000 S\n0.833370 0.833370 0.250000 S\n0.166631 0.833370 0.750000 S\n0.833370 0.166631 0.750000 S\n0.333370 0.333370 0.750000 S\n0.666631 0.666631 0.750000 S\n0.000000 0.500000 0.070054 S\n0.333370 0.666631 0.250000 S\n0.500000 0.000000 0.929946 S\n",
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{
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"structure_string": "Nd8 Ge4 O20\n1.0\n0.000000 7.018525 -0.054184\n7.323548 0.000000 0.000000\n0.000000 -2.992224 -9.601836\nNd Ge O\n8 4 20\ndirect\n0.746193 0.118559 0.529001 Nd\n0.753806 0.618560 0.470999 Nd\n0.253807 0.881441 0.470999 Nd\n0.246193 0.381441 0.529001 Nd\n0.926690 0.652808 0.149167 Nd\n0.573309 0.152808 0.850833 Nd\n0.073310 0.347192 0.850833 Nd\n0.426691 0.847193 0.149167 Nd\n0.487957 0.363561 0.206454 Ge\n0.012043 0.863561 0.793546 Ge\n0.987957 0.136439 0.206454 Ge\n0.512042 0.636439 0.793546 Ge\n0.977924 0.857645 0.602020 O\n0.245125 0.035201 0.823822 O\n0.254876 0.535201 0.176178 O\n0.143335 0.921726 0.216965 O\n0.356666 0.421726 0.783035 O\n0.856665 0.078274 0.783035 O\n0.643334 0.578274 0.216965 O\n0.522075 0.357645 0.397980 O\n0.477925 0.642356 0.602020 O\n0.048659 0.617171 0.389697 O\n0.308666 0.107563 0.974170 O\n0.191334 0.607563 0.025831 O\n0.691334 0.892437 0.025830 O\n0.808666 0.392437 0.974169 O\n0.745124 0.464800 0.823822 O\n0.451341 0.117171 0.610303 O\n0.951341 0.382830 0.610303 O\n0.548659 0.882830 0.389697 O\n0.022075 0.142355 0.397980 O\n0.754875 0.964800 0.176178 O\n",
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},
{
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