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{
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"results": [
{
"id": "jvasp-8194",
"created_at": "2022-09-04T14:37:50.392661Z",
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"structure_string": "Ca2 P6\n1.0\n5.604255 -0.010142 0.001294\n1.478251 5.427305 -0.006113\n1.022475 1.720260 5.320786\nCa P\n2 6\ndirect\n0.676897 0.642805 0.645037 Ca\n0.323102 0.357196 0.354964 Ca\n0.597565 0.797266 0.100485 P\n0.402434 0.202735 0.899516 P\n0.002887 0.202197 0.997434 P\n0.997112 0.797804 0.002567 P\n0.129485 0.821178 0.603549 P\n0.870514 0.178824 0.396452 P\n",
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"formula_full": "Ca2 P6",
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{
"id": "jvasp-30177",
"created_at": "2022-09-04T14:37:50.470282Z",
"updated_at": "2022-09-04T14:37:50.470297Z",
"structure_string": "Nb4 O4 F12\n1.0\n8.851324 -0.229145 -0.452727\n-2.445005 4.685080 -0.098623\n-1.611903 -2.082249 7.642002\nNb O F\n4 4 12\ndirect\n0.210123 0.529329 0.514573 Nb\n0.367184 0.372440 0.135927 Nb\n0.632816 0.627561 0.864073 Nb\n0.789878 0.470672 0.485427 Nb\n0.391546 0.561397 0.699126 O\n0.320827 0.529234 0.321664 O\n0.679174 0.470767 0.678336 O\n0.608455 0.438603 0.300874 O\n0.951636 0.891165 0.620483 F\n0.698485 0.053287 0.467675 F\n0.247941 0.953991 0.114627 F\n0.459586 0.245020 0.917636 F\n0.540415 0.754981 0.082364 F\n0.173656 0.320551 0.943339 F\n0.301516 0.946714 0.532324 F\n0.048364 0.108836 0.379517 F\n0.826345 0.679450 0.056661 F\n0.050712 0.510336 0.658750 F\n0.752060 0.046010 0.885373 F\n0.949289 0.489665 0.341250 F\n",
"nsites": 20,
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{
"id": "jvasp-29341",
"created_at": "2022-09-04T14:37:50.581511Z",
"updated_at": "2022-09-04T14:37:50.581529Z",
"structure_string": "Bi4 Au4 Br24\n1.0\n7.266249 -0.009382 -0.544875\n-3.839038 9.580459 -2.790226\n-0.006312 -0.099484 14.532175\nBi Au Br\n4 4 24\ndirect\n0.590789 0.921489 0.620164 Bi\n0.409212 0.078512 0.379837 Bi\n0.977141 0.312427 0.869749 Bi\n0.022859 0.687573 0.130252 Bi\n0.299778 0.635096 0.765486 Au\n0.700223 0.364905 0.234515 Au\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.243941 0.895389 0.030530 Br\n0.734286 0.800164 0.025059 Br\n0.265714 0.199836 0.974941 Br\n0.590053 0.184694 0.738838 Br\n0.759700 0.046573 0.482920 Br\n0.993929 0.057903 0.723948 Br\n0.006071 0.942097 0.276053 Br\n0.756060 0.104611 0.969470 Br\n0.240300 0.953428 0.517080 Br\n0.409948 0.815306 0.261163 Br\n0.214415 0.285822 0.489717 Br\n0.654887 0.581828 0.227853 Br\n0.275998 0.627292 0.493156 Br\n0.724002 0.372709 0.506844 Br\n0.727387 0.436857 0.978518 Br\n0.345113 0.418173 0.772148 Br\n0.049503 0.467723 0.218512 Br\n0.950497 0.532278 0.781488 Br\n0.752646 0.154477 0.249506 Br\n0.247355 0.845523 0.750494 Br\n0.350535 0.258176 0.247748 Br\n0.649466 0.741825 0.752252 Br\n0.785586 0.714179 0.510283 Br\n0.272613 0.563144 0.021482 Br\n",
"nsites": 32,
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"elements": [
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],
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"volume": 1008.8612207028478,
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{
"id": "jvasp-31883",
"created_at": "2022-09-04T14:37:50.579102Z",
"updated_at": "2022-09-04T14:37:50.579128Z",
"structure_string": "Cr1 B6 H16\n1.0\n4.340963 -0.032990 -0.251236\n-2.179373 4.953289 -1.379369\n0.063296 0.154975 8.764459\nCr B H\n1 6 16\ndirect\n0.000001 0.500001 0.500000 Cr\n0.314883 0.615816 0.293043 B\n0.685118 0.384185 0.706957 B\n0.102300 0.323574 0.123436 B\n0.267549 0.298593 0.310588 B\n0.897701 0.676427 0.876564 B\n0.732452 0.701408 0.689412 B\n0.117343 0.108686 0.186553 H\n0.925256 0.796405 0.595934 H\n0.074745 0.203597 0.404066 H\n0.801255 0.241754 0.092843 H\n0.744430 0.702275 0.984992 H\n0.198746 0.758247 0.907157 H\n0.191629 0.609115 0.157416 H\n0.882658 0.891315 0.813447 H\n0.469767 0.724175 0.660104 H\n0.808372 0.390887 0.842584 H\n0.142956 0.722656 0.372713 H\n0.530235 0.275826 0.339896 H\n0.397634 0.223976 0.685645 H\n0.255572 0.297726 0.015008 H\n0.857045 0.277345 0.627287 H\n0.602367 0.776025 0.314355 H\n",
"nsites": 23,
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"elements": [
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"density": 1.1689385940548815,
"density_atomic": 0.12174587592598698,
"volume": 188.91810359130685,
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{
"id": "jvasp-32381",
"created_at": "2022-09-04T14:37:50.700579Z",
"updated_at": "2022-09-04T14:37:50.700595Z",
"structure_string": "Ta2 Te2 Cl18\n1.0\n6.069694 -0.000347 1.759662\n-0.620141 8.873640 2.563425\n-0.008578 0.106373 11.175673\nTa Te Cl\n2 2 18\ndirect\n0.416411 0.742786 0.703720 Ta\n0.583588 0.257213 0.296280 Ta\n0.131716 0.677911 0.168068 Te\n0.868283 0.322088 0.831932 Te\n0.099872 0.359775 0.619156 Cl\n0.900127 0.640225 0.380844 Cl\n0.120948 0.194528 0.937518 Cl\n0.879051 0.805471 0.062481 Cl\n0.231413 0.145238 0.391816 Cl\n0.768586 0.854762 0.608184 Cl\n0.515996 0.302691 0.083561 Cl\n0.484003 0.697309 0.916439 Cl\n0.052518 0.607659 0.829694 Cl\n0.313927 0.901854 0.165467 Cl\n0.745986 0.037899 0.277944 Cl\n0.254013 0.962101 0.722056 Cl\n0.452098 0.508339 0.294477 Cl\n0.547902 0.491660 0.705522 Cl\n0.659944 0.246000 0.488189 Cl\n0.340056 0.753999 0.511810 Cl\n0.947481 0.392341 0.170305 Cl\n0.686072 0.098146 0.834532 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.472334588274986,
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"volume": 600.2852581829604,
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{
"id": "jvasp-101977",
"created_at": "2022-09-04T14:37:51.074103Z",
"updated_at": "2022-09-04T14:37:51.074120Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.977387 -0.073103 -0.193621\n-0.907975 4.232406 -0.080124\n-0.199501 0.042410 12.963957\nH Pb C O\n12 1 8 4\ndirect\n0.492461 0.221651 0.544822 H\n0.056109 0.129802 0.577075 H\n0.028759 0.148230 0.163149 H\n0.599813 0.080143 0.200528 H\n0.403367 0.705009 0.453029 H\n0.256245 0.180788 0.353365 H\n0.173917 0.672430 0.261871 H\n0.747195 0.604318 0.300194 H\n0.947298 0.655253 0.076474 H\n0.510986 0.563634 0.108758 H\n0.974394 0.636731 0.490386 H\n0.829489 0.112573 0.391663 H\n0.001636 0.892598 0.826785 Pb\n0.380417 0.528910 0.659790 C\n0.273819 0.326969 0.562037 C\n0.177921 0.515795 0.469693 C\n0.052775 0.303018 0.373485 C\n0.950604 0.482030 0.280062 C\n0.825331 0.269273 0.183857 C\n0.729510 0.458177 0.091523 C\n0.622712 0.256295 0.993769 C\n0.229462 0.439423 0.743080 O\n0.611096 0.784032 0.657892 O\n0.773438 0.345824 0.910446 O\n0.392057 0.001160 -0.004308 O\n",
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],
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"formula_full": "H12 Pb1 C8 O4",
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{
"id": "jvasp-29310",
"created_at": "2022-09-04T14:38:01.799865Z",
"updated_at": "2022-09-04T14:38:01.799891Z",
"structure_string": "Ce2 P6 H16 O14\n1.0\n7.074609 0.022088 -0.989754\n-2.449452 6.984078 -2.724684\n0.012596 0.081718 8.776429\nCe P H O\n2 6 16 14\ndirect\n0.346347 0.185831 0.128651 Ce\n0.653654 0.814170 0.871350 Ce\n0.850618 0.189939 0.274139 P\n0.149383 0.810062 0.725862 P\n0.033168 0.787061 0.205811 P\n0.966834 0.212940 0.794190 P\n0.466009 0.309818 0.591820 P\n0.533992 0.690183 0.408182 P\n0.848115 0.146159 0.418045 H\n0.151886 0.853842 0.581957 H\n0.047643 0.621988 0.231585 H\n0.952358 0.378013 0.768417 H\n0.044728 0.917264 0.367893 H\n0.955273 0.082737 0.632109 H\n0.727344 0.669443 0.414317 H\n0.553025 0.856288 0.372965 H\n0.272658 0.330558 0.585684 H\n0.135582 0.615281 0.668385 H\n0.685014 0.287880 0.967498 H\n0.314987 0.712121 0.032504 H\n0.446976 0.143713 0.627037 H\n0.864419 0.384720 0.331616 H\n0.327960 0.500820 0.949382 H\n0.672041 0.499181 0.050620 H\n0.627326 0.368827 0.049478 O\n0.495134 0.729792 0.581206 O\n0.381798 0.521832 0.263419 O\n0.618203 0.478169 0.736583 O\n0.172368 0.262742 0.906072 O\n0.827633 0.737259 0.093929 O\n0.782692 0.133514 0.849900 O\n0.217310 0.866487 0.150101 O\n0.347655 0.931937 0.855406 O\n0.652346 0.068064 0.144596 O\n0.964877 0.835826 0.785490 O\n0.035124 0.164175 0.214512 O\n0.372676 0.631174 0.950524 O\n0.504868 0.270209 0.418796 O\n",
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{
"id": "jvasp-12850",
"created_at": "2022-09-04T14:37:51.378540Z",
"updated_at": "2022-09-04T14:37:51.378564Z",
"structure_string": "Na14 Al6 O16\n1.0\n5.892253 -0.011433 0.039736\n2.589253 7.006775 2.817843\n0.019200 -0.009270 11.345592\nNa Al O\n14 6 16\ndirect\n0.149509 0.101311 0.668081 Na\n0.276135 0.480858 0.450014 Na\n0.550009 0.693026 0.238884 Na\n0.374559 0.911853 0.443700 Na\n0.625439 0.088148 0.556300 Na\n0.524194 0.710078 0.728442 Na\n0.723864 0.519143 0.549986 Na\n0.850490 0.898690 0.331919 Na\n0.740246 0.491750 0.055122 Na\n0.340322 0.902571 0.950497 Na\n0.259753 0.508251 0.944877 Na\n0.475804 0.289923 0.271557 Na\n0.449989 0.306975 0.761116 Na\n0.659677 0.097430 0.049503 Na\n0.065732 0.700377 0.137639 Al\n0.934267 0.299624 0.862361 Al\n0.957341 0.325396 0.355351 Al\n0.833772 0.902214 0.842573 Al\n0.166227 0.097787 0.157426 Al\n0.042658 0.674605 0.644648 Al\n0.465203 0.010935 0.230540 O\n0.160247 0.234209 0.992061 O\n0.534795 0.989066 0.769460 O\n0.221121 0.198186 0.464659 O\n0.066615 0.908000 0.162326 O\n0.024817 0.437801 0.722591 O\n0.642005 0.406995 0.894250 O\n0.778878 0.801815 0.535341 O\n0.933383 0.092001 0.837673 O\n0.323070 0.633624 0.581584 O\n0.051127 0.777721 0.763005 O\n0.975181 0.562200 0.277409 O\n0.357993 0.593006 0.105749 O\n0.839752 0.765792 0.007938 O\n0.948871 0.222280 0.236994 O\n0.676928 0.366377 0.418416 O\n",
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"volume": 468.8934643686011,
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{
"id": "jvasp-98732",
"created_at": "2022-09-04T14:37:51.714311Z",
"updated_at": "2022-09-04T14:37:51.714336Z",
"structure_string": "Na4 Te8 O18\n1.0\n6.961583 0.027061 0.016237\n2.675046 6.315444 2.648713\n0.006162 0.097505 10.540926\nNa Te O\n4 8 18\ndirect\n0.477402 0.773601 0.489360 Na\n0.522599 0.226398 0.510640 Na\n0.975995 0.818553 0.635693 Na\n0.024006 0.181445 0.364307 Na\n0.004117 0.724770 0.984374 Te\n0.460753 0.354562 0.791828 Te\n0.539247 0.645436 0.208173 Te\n0.508218 0.796356 0.802009 Te\n0.491782 0.203642 0.197992 Te\n0.028178 0.674364 0.329191 Te\n0.971823 0.325635 0.670810 Te\n0.995883 0.275229 0.015627 Te\n0.288965 0.306159 0.670010 O\n0.711035 0.693840 0.329991 O\n0.665912 0.340957 0.298685 O\n0.039860 0.142922 0.867302 O\n0.333747 0.511983 0.103878 O\n0.635164 0.854215 0.644807 O\n0.364836 0.145783 0.355194 O\n0.057467 0.503345 0.880045 O\n0.942533 0.496653 0.119956 O\n0.337689 0.669882 0.334280 O\n0.662312 0.330117 0.665721 O\n0.698238 0.872551 0.905354 O\n0.301762 0.127448 0.094647 O\n0.044261 0.119176 0.598873 O\n0.955739 0.880822 0.401127 O\n0.960141 0.857076 0.132699 O\n0.666253 0.488016 0.896122 O\n0.334089 0.659041 0.701315 O\n",
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{
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"created_at": "2022-09-04T14:37:51.958462Z",
"updated_at": "2022-09-04T14:37:51.958485Z",
"structure_string": "K1 Rb2 V1 F6\n1.0\n6.903968 0.483868 -1.168346\n-3.457756 4.188538 1.843434\n-0.699522 -1.750680 5.262509\nK Rb V F\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.726481 0.277881 0.228282 Rb\n0.273519 0.722119 0.771716 Rb\n0.000000 0.000000 0.000000 V\n0.726053 0.791267 0.156816 F\n0.784219 0.054775 0.712154 F\n0.215781 0.945226 0.287844 F\n0.123543 0.361914 0.159001 F\n0.273946 0.208733 0.843182 F\n0.876457 0.638086 0.840997 F\n",
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{
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"created_at": "2022-09-04T14:37:52.381948Z",
"updated_at": "2022-09-04T14:37:52.381961Z",
"structure_string": "Sr4 Co2 Se6 O18\n1.0\n7.145161 -0.043212 -0.003347\n-0.765716 7.728670 0.039019\n-2.258560 -2.215930 8.031710\nSr Co Se O\n4 2 6 18\ndirect\n0.620974 0.486426 0.806958 Sr\n0.379026 0.513574 0.193042 Sr\n0.759963 0.912182 0.604884 Sr\n0.240036 0.087818 0.395115 Sr\n0.090939 0.340725 0.751131 Co\n0.909061 0.659275 0.248869 Co\n0.781627 0.365307 0.410168 Se\n0.102229 0.796030 0.966870 Se\n0.629608 0.923183 0.198232 Se\n0.897770 0.203970 0.033130 Se\n0.218372 0.634694 0.589831 Se\n0.370391 0.076817 0.801768 Se\n0.815567 0.408182 0.072716 O\n0.336695 0.296930 0.887907 O\n0.849668 0.000309 0.352558 O\n0.518187 0.128554 0.683431 O\n0.481812 0.871446 0.316569 O\n0.127694 0.243993 0.169520 O\n0.872305 0.756007 0.830480 O\n0.184432 0.591818 0.927284 O\n0.229005 0.406815 0.599783 O\n0.059479 0.806353 0.158192 O\n0.533272 0.290493 0.351578 O\n0.466728 0.709507 0.648422 O\n0.770994 0.593185 0.400217 O\n0.663305 0.703070 0.112093 O\n0.839193 0.381226 0.622702 O\n0.160807 0.618774 0.377298 O\n0.940520 0.193647 0.841807 O\n0.150332 -0.000309 0.647441 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Se",
"O"
],
"chemical_system": "Co-O-Se-Sr",
"density": 4.602328153118789,
"density_atomic": 0.06759442484799946,
"volume": 443.82358556140423,
"volume_molar": 8.909227016195599,
"formula_full": "Sr4 Co2 Se6 O18",
"formula_reduced": "Sr2Co(SeO3)3",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.213942341333333,
"spacegroup": 2
},
{
"id": "jvasp-29418",
"created_at": "2022-09-04T14:37:52.623163Z",
"updated_at": "2022-09-04T14:37:52.623180Z",
"structure_string": "Dy4 Te10 O26\n1.0\n6.962750 0.001819 0.370863\n2.215757 8.345491 0.122720\n-0.018841 -0.018927 10.556959\nDy Te O\n4 10 26\ndirect\n0.554205 0.529265 0.179642 Dy\n0.997864 0.735051 0.237839 Dy\n0.002137 0.264949 0.762161 Dy\n0.445796 0.470735 0.820357 Dy\n0.874854 0.654534 0.892889 Te\n0.156611 0.803271 0.633009 Te\n0.125147 0.345465 0.107111 Te\n0.566998 0.091344 0.695012 Te\n0.843390 0.196729 0.366991 Te\n0.709363 0.117280 0.029320 Te\n0.726273 0.606708 0.520752 Te\n0.290638 0.882719 0.970680 Te\n0.273728 0.393292 0.479248 Te\n0.433002 0.908656 0.304988 Te\n0.344017 0.990623 0.124865 O\n0.533611 0.325581 0.002929 O\n0.538233 0.810261 0.487048 O\n0.044585 0.349061 0.562320 O\n0.933711 0.732378 0.718045 O\n0.940226 0.981963 0.314399 O\n0.955416 0.650939 0.437680 O\n0.671456 0.256768 0.229836 O\n0.941053 0.179663 0.966128 O\n0.338335 0.512079 0.614655 O\n0.238800 0.494283 0.186746 O\n0.059775 0.018037 0.685600 O\n0.328545 0.743231 0.770164 O\n0.466390 0.674419 0.997071 O\n0.687579 0.262879 0.710221 O\n0.058948 0.820337 0.033872 O\n0.667379 0.779847 0.223337 O\n0.761200 0.505717 0.813254 O\n0.312422 0.737121 0.289779 O\n0.661666 0.487920 0.385345 O\n0.461767 0.189738 0.512952 O\n0.879172 0.512194 0.108169 O\n0.120828 0.487805 0.891831 O\n0.655983 0.009377 0.875135 O\n0.066290 0.267621 0.281954 O\n0.332622 0.220152 0.776662 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Dy",
"Te",
"O"
],
"chemical_system": "Dy-O-Te",
"density": 6.339426479460715,
"density_atomic": 0.06520439437628502,
"volume": 613.4555865846381,
"volume_molar": 9.235789731052646,
"formula_full": "Dy4 Te10 O26",
"formula_reduced": "Dy2Te5O13",
"formula_anonymous": "A2B5C13",
"energy_above_hull": 2.3534338666666668,
"spacegroup": 2
}
]
}