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{
"id": "jvasp-111099",
"created_at": "2022-09-04T14:38:37.050690Z",
"updated_at": "2022-09-04T14:38:37.050723Z",
"structure_string": "Ca1 Mg1 P2 Se6\n1.0\n5.873482 -0.116906 5.085376\n2.253175 5.425371 5.085376\n-0.178969 -0.116906 7.767033\nCa Mg P Se\n1 1 2 6\ndirect\n0.828929 0.828926 0.828929 Ca\n0.171292 0.171291 0.171292 Mg\n0.555197 0.555195 0.555197 P\n0.443591 0.443590 0.443591 P\n0.916625 0.272936 0.573782 Se\n0.573782 0.916624 0.272938 Se\n0.272938 0.573780 0.916625 Se\n0.110653 0.754797 0.372200 Se\n0.372200 0.110651 0.754798 Se\n0.754798 0.372199 0.110653 Se\n",
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{
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"structure_string": "Sn3 Sb1 Se2 I5\n1.0\n7.333296 0.007292 1.124252\n6.070802 4.113715 1.124252\n0.111523 0.034287 12.812195\nSn Sb Se I\n3 1 2 5\ndirect\n0.624431 0.624429 0.477093 Sn\n0.369694 0.369693 0.532041 Sn\n0.639597 0.639596 0.829573 Sn\n0.361574 0.361573 0.186507 Sb\n0.752871 0.752869 0.615928 Se\n0.245955 0.245954 0.381224 Se\n0.720156 0.720154 0.138917 I\n0.289042 0.289043 0.858403 I\n0.972780 0.972777 0.309479 I\n0.025637 0.025638 0.667520 I\n0.998269 0.998266 0.003312 I\n",
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{
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"structure_string": "Sn2 H24 C12 F4\n1.0\n4.265156 0.005168 0.164611\n1.949046 4.347109 0.235991\n0.419781 0.106698 18.758465\nSn H C F\n2 24 12 4\ndirect\n0.195542 0.753246 0.470174 Sn\n0.455218 0.475589 0.968704 Sn\n0.213516 0.391614 0.097502 H\n0.484786 0.589007 0.100074 H\n0.006523 0.064100 0.089594 H\n0.719137 0.886103 0.101113 H\n0.701033 0.918077 0.612313 H\n0.492811 0.574873 0.595360 H\n0.189267 0.410786 0.589048 H\n0.266212 0.812591 0.717939 H\n-0.017561 0.628584 0.725608 H\n0.753266 0.329637 0.720435 H\n0.478367 0.139509 0.734077 H\n0.978728 0.105334 0.607352 H\n0.494719 0.156519 0.218258 H\n-0.213967 0.330264 0.205069 H\n0.746354 -0.029178 0.336836 H\n0.056858 0.121027 0.319342 H\n0.221965 0.434818 0.357574 H\n0.033960 0.092092 0.837377 H\n0.533843 0.594282 0.343830 H\n0.753297 0.908199 0.851874 H\n0.241891 0.426415 0.844897 H\n0.528711 0.610333 0.833178 H\n-0.017553 0.636681 0.229655 H\n0.281372 0.802080 0.211838 H\n0.004659 0.842463 0.705850 C\n0.754737 0.092902 0.113816 C\n0.227790 0.624487 0.582224 C\n0.962525 0.886756 0.624788 C\n0.470251 0.380163 0.081981 C\n0.739008 0.118050 0.744634 C\n0.776107 0.112026 0.825687 C\n0.009609 0.912529 0.314791 C\n0.022949 0.847928 0.235349 C\n0.500602 0.403824 0.856182 C\n0.264409 0.645878 0.359277 C\n0.751791 0.119307 0.194993 C\n-0.088519 0.573259 0.970275 F\n0.650732 0.852148 0.470851 F\n0.981719 0.220737 0.468606 F\n0.249395 -0.054620 0.966420 F\n",
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"formula_full": "Sn2 H24 C12 F4",
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{
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"created_at": "2022-09-04T14:38:46.994381Z",
"updated_at": "2022-09-04T14:38:46.994408Z",
"structure_string": "Li4 Ti2 Cr6 O16\n1.0\n5.062906 -0.016409 2.910565\n-1.688528 9.578580 2.885704\n-0.019262 0.001965 5.840013\nLi Ti Cr O\n4 2 6 16\ndirect\n0.186847 0.062283 0.124564 Li\n0.686834 0.562282 0.124582 Li\n0.313159 0.437718 0.875435 Li\n0.813162 0.937718 0.875413 Li\n0.750006 0.249999 0.500000 Ti\n0.249996 0.750001 0.499996 Ti\n0.999996 0.499999 0.500005 Cr\n0.500006 0.000001 0.499991 Cr\n0.750004 0.250001 0.000000 Cr\n0.250005 0.250001 0.500000 Cr\n0.249997 0.749999 -0.000002 Cr\n0.749996 0.749999 0.499997 Cr\n0.392102 0.130696 0.714761 O\n0.154528 0.869292 0.738589 O\n0.654523 0.369288 0.738599 O\n0.607903 0.869305 0.285225 O\n0.107905 0.369304 0.285239 O\n0.892092 0.630695 0.714769 O\n0.345467 0.630709 0.261405 O\n0.894681 0.631565 0.263154 O\n0.118798 0.857378 0.261384 O\n0.618806 0.357378 0.261387 O\n0.605315 0.868433 0.736843 O\n0.105319 0.368434 0.736851 O\n0.881205 0.142622 0.738613 O\n0.394688 0.131569 0.263146 O\n0.845483 0.130711 0.261402 O\n0.381194 0.642622 0.738611 O\n",
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{
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"created_at": "2022-09-04T14:38:48.685380Z",
"updated_at": "2022-09-04T14:38:48.685395Z",
"structure_string": "Tl2 Cu2 Sn1 Te4\n1.0\n6.810576 -0.031379 5.122545\n4.048096 5.482164 1.856029\n-0.004087 0.008157 6.978574\nTl Cu Sn Te\n2 2 1 4\ndirect\n0.499067 0.000933 0.000933 Tl\n0.999068 0.500933 0.500933 Tl\n0.515448 0.484553 0.703349 Cu\n0.296652 0.703349 0.484552 Cu\n0.990118 0.009882 0.009883 Sn\n0.930807 0.069193 0.440402 Te\n0.559599 0.440401 0.069193 Te\n0.431526 0.918279 0.568474 Te\n0.081721 0.568475 0.918279 Te\n",
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{
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"created_at": "2022-09-04T14:38:32.618715Z",
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"structure_string": "Rb2 Na1 Co1 F6\n1.0\n5.091891 0.000000 2.939805\n1.697296 4.800683 2.939805\n0.000000 0.000000 5.879610\nRb Na Co F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Co\n0.774533 0.774532 0.225466 F\n0.774532 0.225467 0.774532 F\n0.225468 0.774532 0.225467 F\n0.774532 0.225467 0.225467 F\n0.225468 0.225467 0.774532 F\n0.225468 0.774532 0.774531 F\n",
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{
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"updated_at": "2022-09-04T14:38:37.017158Z",
"structure_string": "Sr6 Y2 Rh2 O12\n1.0\n6.814586 0.004959 -0.239881\n-0.248648 6.810050 -0.239881\n0.004778 0.004959 6.818805\nSr Y Rh O\n6 2 2 12\ndirect\n0.250000 0.619773 0.880226 Sr\n0.380227 0.119773 0.750000 Sr\n0.750000 0.380227 0.119773 Sr\n0.119773 0.750000 0.380227 Sr\n0.619773 0.880227 0.250000 Sr\n0.880227 0.250000 0.619773 Sr\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n0.089662 0.292131 0.955910 O\n0.792132 0.589662 0.455911 O\n0.544089 0.207869 0.410338 O\n0.410338 0.544089 0.207869 O\n0.207869 0.410338 0.544089 O\n0.707869 0.044089 0.910338 O\n0.910339 0.707869 0.044089 O\n0.044089 0.910338 0.707868 O\n0.455911 0.792131 0.589661 O\n0.589662 0.455911 0.792131 O\n0.955912 0.089662 0.292131 O\n0.292131 0.955911 0.089662 O\n",
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{
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"updated_at": "2022-09-04T14:38:32.620197Z",
"structure_string": "Ca1 B2 H10 N2\n1.0\n5.009719 0.110219 0.296338\n3.128358 3.914436 0.296338\n0.034065 0.016847 6.305270\nCa B H N\n1 2 10 2\ndirect\n0.448141 0.551859 0.000000 Ca\n0.790020 0.865404 0.216345 B\n0.134596 0.209981 0.783655 B\n0.571960 0.693486 0.423527 H\n0.306515 0.428040 0.576474 H\n0.630778 0.060258 0.682559 H\n0.939743 0.369222 0.317442 H\n0.037052 0.807327 0.305283 H\n0.192673 0.962949 0.694718 H\n0.836361 0.469940 0.742814 H\n0.530061 0.163638 0.257187 H\n0.849511 0.857592 0.020415 H\n0.142408 0.150490 0.979585 H\n0.716369 0.616333 0.284247 N\n0.383667 0.283631 0.715754 N\n",
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{
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"created_at": "2022-09-04T14:38:31.677825Z",
"updated_at": "2022-09-04T14:38:31.677851Z",
"structure_string": "Li4 Mn4 Nb4 O16\n1.0\n5.924860 -0.000000 -0.000000\n0.000000 5.924860 -0.000000\n-0.000000 0.000000 8.493717\nLi Mn Nb O\n4 4 4 16\ndirect\n0.000000 0.244803 0.000000 Li\n0.000000 0.755197 0.500000 Li\n0.244803 0.000000 0.250000 Li\n0.755197 0.000000 0.750000 Li\n0.255434 0.500000 0.250000 Mn\n0.500000 0.255434 0.000000 Mn\n0.500000 0.744566 0.500000 Mn\n0.744566 0.500000 0.750000 Mn\n0.750674 0.750674 0.125000 Nb\n0.750674 0.249326 0.375000 Nb\n0.249326 0.750674 0.875000 Nb\n0.249326 0.249326 0.625000 Nb\n0.735284 0.978456 0.494968 O\n0.735284 0.021544 0.005032 O\n0.737202 0.496487 0.983314 O\n0.737202 0.503513 0.516687 O\n0.503513 0.737202 0.733314 O\n0.503513 0.262798 0.766687 O\n0.496487 0.737202 0.266687 O\n0.021544 0.735284 0.244968 O\n0.262798 0.503513 0.483314 O\n0.262798 0.496487 0.016687 O\n0.264716 0.978456 0.505032 O\n0.264716 0.021544 -0.005032 O\n0.978456 0.264716 0.744968 O\n0.021544 0.264716 0.255032 O\n0.496487 0.262798 0.233313 O\n0.978456 0.735284 0.755032 O\n",
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"spacegroup": 95
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{
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"updated_at": "2022-09-04T14:38:46.367319Z",
"structure_string": "Li2 P4 W2 O14\n1.0\n8.478305 0.000000 0.000000\n-0.000000 4.601045 1.642042\n-0.000000 0.012538 7.074897\nLi P W O\n2 4 2 14\ndirect\n0.888223 0.185827 0.329343 Li\n0.388223 0.814173 0.670657 Li\n0.461622 0.806987 0.076161 P\n0.068176 0.591214 0.532964 P\n0.568176 0.408785 0.467036 P\n0.961622 0.193013 0.923839 P\n0.245821 0.215701 0.271778 W\n0.745821 0.784299 0.728223 W\n0.544120 0.875532 0.873319 O\n0.931849 0.921968 0.869834 O\n0.712734 0.208538 0.506455 O\n0.412258 0.241673 0.487537 O\n0.563069 0.607313 0.594279 O\n0.063069 0.392687 0.405721 O\n0.044120 0.124467 0.126681 O\n0.212734 0.791462 0.493546 O\n0.431849 0.078032 0.130166 O\n0.090085 0.392579 0.764752 O\n0.590085 0.607421 0.235248 O\n0.311193 0.631623 0.080477 O\n0.912258 0.758326 0.512463 O\n0.811193 0.368376 0.919523 O\n",
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{
"id": "jvasp-110489",
"created_at": "2022-09-04T14:38:37.403354Z",
"updated_at": "2022-09-04T14:38:37.403373Z",
"structure_string": "Ba2 U1 Be1 O6\n1.0\n5.016807 -0.000000 2.896455\n1.672269 4.729891 2.896455\n0.000000 -0.000000 5.792910\nBa U Be O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.500000 0.500000 0.499999 U\n0.000000 0.000000 0.000000 Be\n0.757476 0.242524 0.242523 O\n0.242524 0.757476 0.757475 O\n0.242524 0.757476 0.242523 O\n0.757476 0.242524 0.757475 O\n0.242524 0.242524 0.757475 O\n0.757477 0.757476 0.242523 O\n",
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{
"id": "jvasp-120576",
"created_at": "2022-09-04T14:38:46.320987Z",
"updated_at": "2022-09-04T14:38:46.321008Z",
"structure_string": "Cd2 Te2 Mo2 O12\n1.0\n5.314162 -0.000000 0.000000\n0.000000 5.314162 0.000000\n-0.000000 -0.000000 9.079614\nCd Te Mo O\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.763764 Te\n-0.000000 0.500000 0.236235 Te\n0.500000 0.000000 0.182863 Mo\n-0.000000 0.500000 0.817136 Mo\n0.818459 0.681540 0.933472 O\n0.305396 0.194604 0.626721 O\n0.283322 0.216677 0.284282 O\n0.694604 0.805396 0.626721 O\n0.216677 0.716677 0.715717 O\n0.194604 0.694604 0.373278 O\n0.805396 0.305396 0.373278 O\n0.181540 0.318460 0.933472 O\n0.318460 0.818459 0.066528 O\n0.681540 0.181540 0.066528 O\n0.783322 0.283322 0.715717 O\n0.716677 0.783322 0.284282 O\n",
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"formula_full": "Cd2 Te2 Mo2 O12",
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}
]
}