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{
"id": "jvasp-48164",
"created_at": "2022-09-04T14:37:07.719961Z",
"updated_at": "2022-09-04T14:37:07.719986Z",
"structure_string": "Li1 Fe1 Co2 O6\n1.0\n6.239929 0.029214 -0.011358\n0.625648 2.752556 -0.000014\n-1.376502 0.312790 5.624138\nLi Fe Co O\n1 1 2 6\ndirect\n0.333318 0.333336 0.833314 Li\n0.333338 0.333329 0.333325 Fe\n0.675105 0.662447 0.657818 Co\n0.991564 0.004220 0.008862 Co\n0.016370 0.491829 0.228343 O\n0.350653 0.824681 0.560720 O\n0.316019 0.841983 0.105935 O\n0.676928 0.161543 0.877716 O\n0.650302 0.174839 0.438337 O\n0.989740 0.505125 0.788965 O\n",
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{
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{
"id": "jvasp-52189",
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"updated_at": "2022-09-04T14:37:05.253240Z",
"structure_string": "Ca4 Si2 B4 O14\n1.0\n7.150898 0.000000 0.000000\n-0.000000 7.150898 -0.000000\n0.000000 0.000000 4.824959\nCa Si B O\n4 2 4 14\ndirect\n0.339697 0.160303 0.510237 Ca\n0.839697 0.339697 0.489763 Ca\n0.160303 0.660304 0.489763 Ca\n0.660304 0.839697 0.510237 Ca\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.632756 0.132755 0.038693 B\n0.132755 0.367245 0.961307 B\n0.867245 0.632756 0.961307 B\n0.367245 0.867245 0.038693 B\n0.921290 0.823152 0.811740 O\n0.421289 0.676849 0.188260 O\n0.855870 0.644131 0.248466 O\n0.676849 0.578711 0.811740 O\n0.000000 0.500000 0.841483 O\n0.323152 0.421289 0.811740 O\n0.823152 0.078711 0.188260 O\n0.578711 0.323152 0.188260 O\n0.078711 0.176849 0.811740 O\n0.644131 0.144131 0.751535 O\n0.355869 0.855870 0.751535 O\n0.500000 0.000000 0.158517 O\n0.144131 0.355869 0.248466 O\n0.176849 0.921290 0.188260 O\n",
"nsites": 24,
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"formula_full": "Ca4 Si2 B4 O14",
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{
"id": "jvasp-50679",
"created_at": "2022-09-04T14:37:17.276256Z",
"updated_at": "2022-09-04T14:37:17.276281Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n0.000000 5.626001 -0.060698\n5.714015 0.000000 0.000000\n0.000000 -3.334342 -10.067080\nLi Cu P O\n4 4 4 16\ndirect\n0.304999 0.338829 0.077010 Li\n0.695001 0.838829 0.422990 Li\n0.305000 0.161172 0.577010 Li\n0.695001 0.661172 0.922990 Li\n0.746484 0.401323 0.357970 Cu\n0.253516 0.901323 0.142030 Cu\n0.746484 0.098678 0.857970 Cu\n0.253516 0.598678 0.642030 Cu\n0.181671 0.684470 0.393793 P\n0.818329 0.184470 0.106208 P\n0.181671 0.815531 0.893793 P\n0.818330 0.315531 0.606208 P\n0.233956 0.443342 0.466459 O\n0.251119 0.857582 0.513787 O\n0.748881 0.357582 0.986213 O\n0.766044 0.943343 0.033541 O\n0.901720 0.697731 0.312581 O\n0.646038 0.230875 0.193137 O\n0.353962 0.769126 0.806863 O\n0.353962 0.730876 0.306863 O\n0.233956 0.056658 0.966459 O\n0.251119 0.642419 0.013787 O\n0.748881 0.142419 0.486213 O\n0.766045 0.556659 0.533541 O\n0.646039 0.269125 0.693137 O\n0.098280 0.197730 0.187419 O\n0.098280 0.302270 0.687419 O\n0.901720 0.802270 0.812581 O\n",
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"formula_full": "Li4 Cu4 P4 O16",
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{
"id": "jvasp-45373",
"created_at": "2022-09-04T14:37:14.219996Z",
"updated_at": "2022-09-04T14:37:14.220018Z",
"structure_string": "Ba4 Mg2 Si4 O14\n1.0\n8.271139 0.000000 0.000000\n0.000000 8.271139 0.000000\n0.000000 -0.000000 5.463503\nBa Mg Si O\n4 2 4 14\ndirect\n0.664424 0.164424 0.509623 Ba\n0.835576 0.664424 0.490377 Ba\n0.164424 0.335576 0.490377 Ba\n0.335576 0.835576 0.509623 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.862643 0.362642 0.955492 Si\n0.137358 0.637358 0.955492 Si\n0.637358 0.862643 0.044507 Si\n0.362642 0.137358 0.044507 Si\n0.000000 0.500000 0.860429 O\n0.500000 0.000000 0.139571 O\n0.640225 0.859775 0.747484 O\n0.859775 0.359775 0.252516 O\n0.077531 0.806304 0.822182 O\n0.193697 0.077531 0.177817 O\n0.306303 0.577531 0.822182 O\n0.922469 0.193697 0.822182 O\n0.577531 0.693697 0.177817 O\n0.422469 0.306303 0.177817 O\n0.140225 0.640225 0.252516 O\n0.693697 0.422469 0.822182 O\n0.806304 0.922469 0.177817 O\n0.359775 0.140225 0.747484 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Ba4 Mg2 Si4 O14",
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},
{
"id": "jvasp-21344",
"created_at": "2022-09-04T14:37:07.743867Z",
"updated_at": "2022-09-04T14:37:07.743900Z",
"structure_string": "Mg2 Co2 Si4 O12\n1.0\n4.889059 -0.122626 0.876046\n1.018935 6.397623 0.527523\n-0.211533 -0.020107 6.496225\nMg Co Si O\n2 2 4 12\ndirect\n0.750001 0.271610 0.728388 Mg\n0.250002 0.728388 0.271612 Mg\n0.250000 0.085166 0.914834 Co\n0.750000 0.914835 0.085165 Co\n0.290220 0.208703 0.394102 Si\n0.209781 0.605897 0.791296 Si\n0.790220 0.394102 0.208704 Si\n0.709782 0.791295 0.605897 Si\n0.642422 0.971000 0.777607 O\n0.857580 0.222391 0.028999 O\n0.631342 0.616953 0.144922 O\n0.868660 0.855077 0.383046 O\n0.368659 0.383044 0.855077 O\n-0.089348 0.585044 0.704572 O\n0.089349 0.414955 0.295426 O\n0.410653 0.704572 0.585045 O\n0.357579 0.028998 0.222393 O\n0.589350 0.295427 0.414954 O\n0.131342 0.144921 0.616953 O\n0.142423 0.777608 0.971000 O\n",
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"formula_full": "Mg2 Co2 Si4 O12",
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{
"id": "jvasp-56780",
"created_at": "2022-09-04T14:37:14.225012Z",
"updated_at": "2022-09-04T14:37:14.225039Z",
"structure_string": "Sr3 Li4 Ge2 N6\n1.0\n5.895132 -0.004691 -0.076474\n-2.682406 5.249506 -0.076474\n-0.008304 -0.013556 6.331062\nSr Li Ge N\n3 4 2 6\ndirect\n0.811061 0.188939 0.500001 Sr\n0.188939 0.811062 0.500001 Sr\n0.000000 0.000000 0.000000 Sr\n0.182621 0.543512 0.118158 Li\n0.817379 0.456488 0.881844 Li\n0.456488 0.817379 0.881844 Li\n0.543512 0.182621 0.118158 Li\n0.610948 0.610949 0.318630 Ge\n0.389051 0.389051 0.681371 Ge\n0.453990 0.139861 0.803361 N\n0.546010 0.860139 0.196640 N\n0.297020 0.297020 0.367574 N\n0.702980 0.702980 0.632427 N\n0.139862 0.453990 0.803361 N\n0.860138 0.546011 0.196640 N\n",
"nsites": 15,
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],
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{
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"created_at": "2022-09-04T14:37:14.232784Z",
"updated_at": "2022-09-04T14:37:14.232804Z",
"structure_string": "Ti1 V2 Cr1 O10\n1.0\n6.625328 -0.000000 0.000000\n0.000000 6.625328 -0.000000\n-0.000000 -0.000000 4.158000\nTi V Cr O\n1 2 1 10\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.250000 0.644494 V\n0.750000 0.750000 0.355506 V\n0.250000 0.750000 0.500000 Cr\n0.045478 0.750000 0.269983 O\n0.250000 0.250000 0.254726 O\n0.250000 0.545478 0.730017 O\n0.250000 0.954523 0.730017 O\n0.454523 0.750000 0.269983 O\n0.517716 0.250000 0.742626 O\n0.750000 0.017716 0.257374 O\n0.750000 0.482284 0.257374 O\n0.750000 0.750000 0.745274 O\n0.982284 0.250000 0.742626 O\n",
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],
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},
{
"id": "jvasp-107102",
"created_at": "2022-09-04T14:36:59.414298Z",
"updated_at": "2022-09-04T14:36:59.414308Z",
"structure_string": "K2 Na1 As1 Br6\n1.0\n6.688941 -0.000000 3.861862\n2.229647 6.306394 3.861862\n-0.000000 -0.000000 7.723724\nK Na As Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.757363 0.242637 0.242636 Br\n0.242637 0.242637 0.757363 Br\n0.242637 0.757363 0.757363 Br\n0.242637 0.757363 0.242636 Br\n0.757363 0.242637 0.757363 Br\n0.757364 0.757363 0.242636 Br\n",
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],
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},
{
"id": "jvasp-33758",
"created_at": "2022-09-04T14:37:11.041988Z",
"updated_at": "2022-09-04T14:37:11.042011Z",
"structure_string": "Mn2 H8 O4 F8\n1.0\n0.000000 5.037447 -0.000000\n-6.481744 2.518723 -0.323716\n-0.769279 -2.518723 6.677202\nMn H O F\n2 8 4 8\ndirect\n0.497636 0.749998 0.749997 Mn\n0.497636 0.250001 0.250002 Mn\n0.108045 0.899475 0.415531 H\n0.640367 0.826223 0.109966 H\n0.354893 0.673785 0.390030 H\n0.403284 0.399472 0.915530 H\n0.887223 0.600528 0.084470 H\n0.638648 0.326214 0.609969 H\n0.356625 0.173777 0.890033 H\n0.591988 0.100525 0.584468 H\n0.515109 0.246371 0.523732 O\n0.480159 0.253625 0.976262 O\n0.237746 0.753628 0.476267 O\n0.757521 0.746374 0.023738 O\n0.908013 0.121198 0.334574 F\n0.457496 0.999146 0.225480 F\n0.694637 0.878801 0.665425 F\n0.300628 0.621188 0.834546 F\n0.537779 0.500858 0.274537 F\n0.764101 0.499141 0.725462 F\n0.087269 0.378811 0.165453 F\n0.231161 0.000853 0.774520 F\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Mn2 H8 O4 F8",
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{
"id": "jvasp-106449",
"created_at": "2022-09-04T14:37:14.233308Z",
"updated_at": "2022-09-04T14:37:14.233327Z",
"structure_string": "Rb2 Er1 Ag1 Cl6\n1.0\n6.465483 -0.000000 3.732848\n2.155161 6.095716 3.732848\n-0.000000 -0.000000 7.465697\nRb Er Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Ag\n0.754627 0.245372 0.245373 Cl\n0.245372 0.245372 0.754628 Cl\n0.245372 0.754628 0.754628 Cl\n0.245372 0.754628 0.245372 Cl\n0.754627 0.245372 0.754629 Cl\n0.754627 0.754628 0.245373 Cl\n",
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],
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{
"id": "jvasp-57256",
"created_at": "2022-09-04T14:37:17.058520Z",
"updated_at": "2022-09-04T14:37:17.058544Z",
"structure_string": "K4 Li4 C4 O12\n1.0\n0.000000 6.469328 -0.091322\n7.066934 0.000000 0.000000\n0.000000 -3.625016 -6.573341\nK Li C O\n4 4 4 12\ndirect\n0.176683 0.644168 0.340158 K\n0.823317 0.144169 0.159842 K\n0.823316 0.355831 0.659842 K\n0.176683 0.855831 0.840158 K\n0.397166 0.432105 0.794831 Li\n0.602834 0.567894 0.205169 Li\n0.602833 0.932105 0.705169 Li\n0.397166 0.067895 0.294831 Li\n0.709683 0.834049 0.417294 C\n0.290316 0.165950 0.582706 C\n0.290317 0.334049 0.082706 C\n0.709683 0.665950 0.917294 C\n0.746835 0.979921 0.533671 O\n0.475456 0.336104 0.262449 O\n0.524543 0.663895 0.737551 O\n0.253164 0.479922 0.966329 O\n0.475456 0.163896 0.762449 O\n0.524543 0.836104 0.237551 O\n0.156171 0.312173 0.528884 O\n0.156171 0.187827 0.028884 O\n0.253165 0.020078 0.466329 O\n0.746835 0.520078 0.033671 O\n0.843828 0.812173 0.971115 O\n0.843828 0.687827 0.471115 O\n",
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"elements": [
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],
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"formula_full": "K4 Li4 C4 O12",
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}
]
}