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{
"id": "jvasp-29830",
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{
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{
"id": "jvasp-22483",
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"updated_at": "2022-09-04T14:37:37.506493Z",
"structure_string": "Mg4 V4 Bi4 O20\n1.0\n0.000000 5.347766 0.010877\n11.652273 0.000000 0.000000\n0.000000 -3.078973 -7.294375\nMg V Bi O\n4 4 4 20\ndirect\n0.551926 0.078677 0.176164 Mg\n0.448076 0.921323 0.823836 Mg\n0.448075 0.578677 0.323836 Mg\n0.551926 0.421323 0.676164 Mg\n0.190596 0.350950 0.972582 V\n0.809405 0.649050 0.027418 V\n0.809406 0.850950 0.527418 V\n0.190595 0.149050 0.472582 V\n0.932999 0.402928 0.320985 Bi\n0.067003 0.597072 0.679015 Bi\n0.067002 0.902928 0.179015 Bi\n0.932999 0.097072 0.820985 Bi\n0.329931 0.285881 0.516210 O\n0.700546 0.930512 0.673536 O\n0.849070 0.175327 0.366252 O\n0.760464 0.027347 0.015963 O\n0.239538 0.972653 0.984037 O\n0.329931 0.214119 0.016209 O\n0.744654 0.572351 0.826538 O\n0.255348 0.072351 0.673463 O\n0.255348 0.427649 0.173462 O\n0.760464 0.472653 0.515963 O\n0.700545 0.569488 0.173536 O\n0.299456 0.430512 0.826464 O\n0.670070 0.785881 0.983791 O\n0.670070 0.714119 0.483791 O\n0.849070 0.324672 0.866253 O\n0.150931 0.824672 0.633748 O\n0.299456 0.069488 0.326464 O\n0.744653 0.927649 0.326538 O\n0.239537 0.527347 0.484037 O\n0.150931 0.675327 0.133747 O\n",
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{
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"structure_string": "Si4 P8 O28\n1.0\n0.000000 4.765939 0.002752\n6.372252 0.000000 0.000000\n0.000000 -0.014337 -14.825911\nSi P O\n4 8 28\ndirect\n0.750379 0.919281 0.864501 Si\n0.249620 0.419281 0.635500 Si\n0.249621 0.080719 0.135500 Si\n0.750379 0.580718 0.364501 Si\n0.262176 0.892552 0.331923 P\n0.737823 0.392552 0.168077 P\n0.737823 0.107448 0.668077 P\n0.262176 0.607448 0.831923 P\n0.745276 0.693137 0.572452 P\n0.745277 0.806863 0.072452 P\n0.254723 0.306863 0.427548 P\n0.254723 0.193137 0.927548 P\n0.659692 0.833086 0.974708 O\n0.289738 0.061293 0.411444 O\n0.340308 0.166913 0.025292 O\n0.659692 0.666913 0.474708 O\n0.340308 0.333087 0.525292 O\n0.051397 0.637641 0.591145 O\n0.545889 0.584091 0.637507 O\n0.545890 0.915909 0.137507 O\n0.454110 0.415909 0.362493 O\n0.948602 0.137641 0.908855 O\n0.710262 0.561293 0.088556 O\n0.454110 0.084091 0.862493 O\n0.710262 0.938706 0.588556 O\n0.550196 0.705659 0.819779 O\n0.050140 0.761068 0.869197 O\n0.949860 0.261068 0.630803 O\n0.949860 0.238931 0.130803 O\n0.050140 0.738931 0.369197 O\n0.051397 0.862359 0.091145 O\n0.449803 0.205659 0.680221 O\n0.449804 0.294341 0.180221 O\n0.550196 0.794341 0.319779 O\n0.160578 0.494169 0.747827 O\n0.839421 0.994169 0.752173 O\n0.839422 0.505831 0.252173 O\n0.160578 0.005831 0.247828 O\n0.289738 0.438706 0.911444 O\n0.948603 0.362359 0.408855 O\n",
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"elements": [
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{
"id": "jvasp-22007",
"created_at": "2022-09-04T14:37:38.083322Z",
"updated_at": "2022-09-04T14:37:38.083355Z",
"structure_string": "Sr8 In4 F28\n1.0\n0.000000 5.490570 0.002264\n12.380367 0.000000 0.000000\n0.000000 -0.089167 -8.358019\nSr In F\n8 4 28\ndirect\n0.763681 0.278498 0.554656 Sr\n0.236318 0.778498 0.945344 Sr\n0.236319 0.721503 0.445344 Sr\n0.763681 0.221503 0.054656 Sr\n0.236634 0.062342 0.324982 Sr\n0.763366 0.562343 0.175019 Sr\n0.763366 0.937658 0.675019 Sr\n0.236634 0.437658 0.824982 Sr\n0.279970 0.124546 0.788230 In\n0.720029 0.624546 0.711771 In\n0.279971 0.375454 0.288230 In\n0.720029 0.875454 0.211771 In\n0.988293 0.755265 0.692757 F\n0.495827 0.103945 0.573993 F\n0.011706 0.244735 0.307243 F\n0.988294 0.744735 0.192757 F\n0.011706 0.255265 0.807243 F\n0.201721 0.543181 0.286617 F\n0.986920 0.895920 0.411032 F\n0.986920 0.604080 0.911032 F\n0.013079 0.104080 0.588968 F\n0.798279 0.043181 0.213383 F\n0.504172 0.603945 0.926008 F\n0.013079 0.395920 0.088968 F\n0.504172 0.896056 0.426008 F\n0.364097 0.927546 0.124674 F\n0.495907 0.271289 0.798853 F\n0.504092 0.771289 0.701148 F\n0.504092 0.728712 0.201148 F\n0.495907 0.228712 0.298853 F\n0.201721 0.956819 0.786617 F\n0.635903 0.427546 0.375326 F\n0.635903 0.072455 0.875326 F\n0.364096 0.572455 0.624674 F\n0.791202 0.641803 0.463354 F\n0.208798 0.141802 0.036647 F\n0.208797 0.358198 0.536647 F\n0.791202 0.858198 0.963354 F\n0.495828 0.396055 0.073993 F\n0.798279 0.456819 0.713383 F\n",
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{
"id": "jvasp-21028",
"created_at": "2022-09-04T14:37:38.123639Z",
"updated_at": "2022-09-04T14:37:38.123649Z",
"structure_string": "K8 Nb4 F28\n1.0\n0.000000 5.801227 -0.014159\n12.730041 0.000000 0.000000\n0.000000 -0.022170 -8.530491\nK Nb F\n8 4 28\ndirect\n0.763650 0.781937 0.944094 K\n0.236351 0.281937 0.555906 K\n0.236351 0.218063 0.055906 K\n0.763650 0.718063 0.444094 K\n0.237180 0.939813 0.679415 K\n0.762820 0.439813 0.820585 K\n0.762820 0.060187 0.320585 K\n0.237180 0.560187 0.179415 K\n0.274656 0.872285 0.219787 Nb\n0.725344 0.372285 0.280213 Nb\n0.274656 0.627715 0.719787 Nb\n0.725344 0.127715 0.780213 Nb\n0.533622 0.258478 0.794262 F\n0.041880 0.744326 0.696539 F\n0.466378 0.741522 0.205738 F\n0.533622 0.241522 0.294262 F\n0.466378 0.758478 0.705738 F\n0.529026 0.390513 0.088759 F\n0.958912 0.393198 0.108846 F\n0.958912 0.106802 0.608846 F\n0.041088 0.606802 0.891154 F\n0.470975 0.890512 0.411241 F\n0.958121 0.244326 0.803461 F\n0.041088 0.893198 0.391155 F\n0.958121 0.255674 0.303461 F\n0.189278 0.878282 0.995898 F\n0.213235 0.025583 0.212853 F\n0.786765 0.525583 0.287147 F\n0.786765 0.974417 0.787147 F\n0.213235 0.474417 0.712853 F\n0.529026 0.109487 0.588759 F\n0.810723 0.378282 0.504102 F\n0.810723 0.121718 0.004102 F\n0.189278 0.621718 0.495898 F\n0.570652 0.923976 0.127725 F\n0.429348 0.423976 0.372275 F\n0.429348 0.076024 0.872275 F\n0.570653 0.576024 0.627725 F\n0.041880 0.755674 0.196539 F\n0.470975 0.609487 0.911241 F\n",
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{
"id": "jvasp-25787",
"created_at": "2022-09-04T14:37:38.390786Z",
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"structure_string": "Na8 P4 H4 O12\n1.0\n0.000000 5.000854 0.006281\n6.948543 0.000000 0.000000\n0.000000 -4.609885 -9.740305\nNa P H O\n8 4 4 12\ndirect\n0.525388 0.936768 0.254787 Na\n0.474612 0.436768 0.245213 Na\n0.880840 0.692254 0.105358 Na\n0.119160 0.192254 0.394643 Na\n0.474613 0.063232 0.745214 Na\n0.119161 0.307746 0.894643 Na\n0.880841 0.807745 0.605358 Na\n0.525388 0.563231 0.754787 Na\n0.242488 0.736553 0.426750 P\n0.757512 0.236553 0.073251 P\n0.757513 0.263447 0.573251 P\n0.242489 0.763446 0.926750 P\n0.924869 0.432669 0.585936 H\n0.924868 0.067331 0.085936 H\n0.075133 0.932669 0.914065 H\n0.075132 0.567331 0.414065 H\n0.962855 0.125458 0.686483 O\n0.328704 0.688659 0.073921 O\n0.037146 0.625458 0.813518 O\n0.328704 0.811340 0.573921 O\n0.514409 0.683282 0.402598 O\n0.671297 0.311341 0.926080 O\n0.037145 0.874541 0.313518 O\n0.485592 0.316717 0.597403 O\n0.962855 0.374541 0.186482 O\n0.671296 0.188659 0.426079 O\n0.485591 0.183283 0.097403 O\n0.514409 0.816717 0.902598 O\n",
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},
{
"id": "jvasp-25789",
"created_at": "2022-09-04T14:37:38.452146Z",
"updated_at": "2022-09-04T14:37:38.452156Z",
"structure_string": "Na16 Zr8 Si8 O40\n1.0\n0.000000 13.764410 -0.006191\n5.492519 0.000000 0.000000\n0.000000 -6.819053 -12.161340\nNa Zr Si O\n16 8 8 40\ndirect\n0.852000 0.266538 0.921673 Na\n0.649177 0.759148 0.319096 Na\n0.648000 0.766538 0.078327 Na\n0.567992 0.266673 0.419921 Na\n0.148000 0.733462 0.078327 Na\n0.149177 0.740852 0.319096 Na\n0.067992 0.233327 0.419921 Na\n0.432008 0.733327 0.580079 Na\n0.671610 0.736685 0.820256 Na\n0.850823 0.259148 0.680903 Na\n0.350823 0.240852 0.680904 Na\n0.171610 0.763315 0.820256 Na\n0.932008 0.766673 0.580079 Na\n0.828390 0.236685 0.179744 Na\n0.328390 0.263315 0.179744 Na\n0.352000 0.233462 0.921673 Na\n0.372305 0.764756 0.064839 Zr\n0.192903 0.761690 0.564694 Zr\n0.307097 0.261690 0.435306 Zr\n0.627695 0.235245 0.935161 Zr\n0.692903 0.738310 0.564694 Zr\n0.872305 0.735245 0.064839 Zr\n0.127695 0.264756 0.935161 Zr\n0.807097 0.238310 0.435306 Zr\n0.408146 0.777127 0.340115 Si\n0.066921 0.219544 0.159471 Si\n0.933079 0.780456 0.840529 Si\n0.091855 0.277127 0.659885 Si\n0.591855 0.222873 0.659885 Si\n0.908146 0.722873 0.340114 Si\n0.566921 0.280456 0.159471 Si\n0.433079 0.719544 0.840529 Si\n0.149912 0.251486 0.292399 O\n0.889112 0.430586 0.356959 O\n0.658320 0.399645 0.616751 O\n0.734557 0.035308 0.507768 O\n0.370139 0.801478 0.910210 O\n0.158320 0.100355 0.616751 O\n0.140183 0.219779 0.791428 O\n0.870139 0.698522 0.910210 O\n0.765443 0.535308 0.492232 O\n0.841680 0.899645 0.383249 O\n0.234557 0.464692 0.507768 O\n0.389112 0.069414 0.356959 O\n0.859817 0.780221 0.208572 O\n0.610888 0.930586 0.643041 O\n0.270517 0.473938 0.001469 O\n0.359817 0.719779 0.208572 O\n0.958009 0.213054 0.589730 O\n0.969272 0.072057 0.864336 O\n0.265443 0.964692 0.492232 O\n0.541991 0.713054 0.410269 O\n0.469272 0.427943 0.864336 O\n0.350088 0.751486 0.707601 O\n0.850088 0.748514 0.707601 O\n0.110888 0.569414 0.643041 O\n0.030728 0.927943 0.135664 O\n0.958573 0.396886 0.122941 O\n0.629861 0.198522 0.089790 O\n0.041991 0.786946 0.410270 O\n0.458009 0.286946 0.589730 O\n0.341680 0.600355 0.383249 O\n0.541427 0.896886 0.877059 O\n0.041427 0.603114 0.877059 O\n0.229483 0.973938 0.998531 O\n0.649912 0.248514 0.292399 O\n0.129861 0.301478 0.089790 O\n0.530728 0.572057 0.135664 O\n0.770517 0.026062 0.001469 O\n0.458574 0.103114 0.122941 O\n0.729483 0.526062 0.998531 O\n0.640183 0.280221 0.791428 O\n",
"nsites": 72,
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"elements": [
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],
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"volume": 919.6447887977242,
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"formula_full": "Na16 Zr8 Si8 O40",
"formula_reduced": "Na2ZrSiO5",
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},
{
"id": "jvasp-21866",
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