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{
"id": "jvasp-17410",
"created_at": "2022-09-04T14:38:28.655201Z",
"updated_at": "2022-09-04T14:38:28.655212Z",
"structure_string": "Np1 Ge2 Rh2\n1.0\n3.851051 -0.000000 -1.454831\n-0.549598 3.811632 -1.454831\n0.069654 0.080417 6.008812\nNp Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.620689 0.620689 0.241379 Ge\n0.379310 0.379311 0.758621 Ge\n0.749999 0.250000 0.500000 Rh\n0.249999 0.750000 0.500000 Rh\n",
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{
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{
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"structure_string": "Ba2 Zr2 B4 O12\n1.0\n5.062687 -0.013300 10.546902\n2.389684 4.463226 10.546902\n-0.022273 -0.013300 11.699036\nBa Zr B O\n2 2 4 12\ndirect\n0.999833 0.999833 0.999832 Ba\n0.499833 0.499833 0.499832 Ba\n0.249831 0.249831 0.249831 Zr\n0.749831 0.749832 0.749831 Zr\n0.880524 0.880524 0.880523 B\n0.119139 0.119139 0.119139 B\n0.619139 0.619140 0.619139 B\n0.380523 0.380524 0.380523 B\n0.914111 0.027165 0.418222 O\n0.027166 0.418223 0.914110 O\n0.472513 0.081438 0.585536 O\n0.414109 0.918223 0.527165 O\n0.918223 0.527166 0.414109 O\n0.085536 0.581438 0.972513 O\n0.581437 0.972514 0.085536 O\n0.527166 0.414110 0.918222 O\n0.585536 0.472513 0.081437 O\n0.081437 0.585536 0.472513 O\n0.418222 0.914111 0.027165 O\n0.972514 0.085536 0.581437 O\n",
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{
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"created_at": "2022-09-04T14:36:51.779351Z",
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"structure_string": "Th1 Si2 Pt2\n1.0\n3.994630 -0.000000 -1.593082\n-0.635331 3.943783 -1.593082\n0.006375 0.007484 5.820764\nTh Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.620583 0.620583 0.241167 Si\n0.379416 0.379416 0.758832 Si\n0.749999 0.249999 0.500000 Pt\n0.249999 0.749999 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:37:16.461394Z",
"updated_at": "2022-09-04T14:37:16.461417Z",
"structure_string": "Na4 C4 S4 N4\n1.0\n3.981965 0.000000 0.000000\n-0.000000 5.593534 0.000000\n0.000000 0.000000 13.286804\nNa C S N\n4 4 4 4\ndirect\n0.250000 0.548856 0.895894 Na\n0.750001 0.048856 0.604106 Na\n0.750001 0.451144 0.104106 Na\n0.250000 0.951143 0.395894 Na\n0.250000 0.889766 0.114508 C\n0.750001 0.389767 0.385492 C\n0.250000 0.610232 0.614508 C\n0.750001 0.110233 0.885492 C\n0.250000 0.125746 0.186147 S\n0.750001 0.874253 0.813853 S\n0.750001 0.625746 0.313853 S\n0.250000 0.374254 0.686147 S\n0.750001 0.284982 0.936212 N\n0.250000 0.784982 0.563788 N\n0.250000 0.715017 0.063788 N\n0.750001 0.215018 0.436212 N\n",
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{
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"created_at": "2022-09-04T14:38:01.609097Z",
"updated_at": "2022-09-04T14:38:01.609123Z",
"structure_string": "Li4 Cr3 Fe1 O8\n1.0\n0.000000 5.023406 0.000136\n5.800410 0.000000 0.000000\n0.000000 -1.675326 -4.754220\nLi Cr Fe O\n4 3 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.754514 -0.000000 Li\n0.500000 0.245486 -0.000000 Li\n-0.000000 0.752779 0.500000 Cr\n-0.000000 0.247221 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Fe\n0.755044 0.000000 0.272816 O\n0.758272 0.500000 0.272905 O\n0.740719 0.752560 0.726217 O\n0.259280 0.752560 0.273783 O\n0.740719 0.247440 0.726217 O\n0.244956 0.000000 0.727183 O\n0.259280 0.247440 0.273783 O\n0.241728 0.500000 0.727094 O\n",
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"formula_full": "Li4 Cr3 Fe1 O8",
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{
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"created_at": "2022-09-04T14:38:05.336490Z",
"updated_at": "2022-09-04T14:38:05.336522Z",
"structure_string": "Li4 Cr3 Fe1 O8\n1.0\n4.350425 2.511726 0.000749\n2.901146 -1.674552 4.754498\n2.900862 -5.024453 -0.000112\nLi Cr Fe O\n4 3 1 8\ndirect\n0.009649 0.996707 0.001649 Li\n0.990352 0.003294 0.498349 Li\n0.500000 0.000000 0.249999 Li\n0.500000 0.000000 0.749999 Li\n0.000000 0.500000 0.002972 Cr\n-0.000000 0.500001 0.497028 Cr\n0.500000 0.500001 0.749999 Cr\n0.500000 0.500000 0.249999 Fe\n0.244858 0.272558 0.363712 O\n0.241887 0.273206 0.863387 O\n0.740656 0.273850 0.115641 O\n0.259344 0.726151 0.384357 O\n0.259344 0.726151 0.889508 O\n0.755142 0.727443 0.136286 O\n0.740656 0.273851 0.610490 O\n0.758113 0.726795 0.636610 O\n",
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{
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"created_at": "2022-09-04T14:38:34.295413Z",
"updated_at": "2022-09-04T14:38:34.295441Z",
"structure_string": "Li4 Cr4 Co2 O12\n1.0\n2.811229 0.004797 -0.615445\n-0.645231 11.204859 -2.865829\n-0.046701 -0.022104 6.516745\nLi Cr Co O\n4 4 2 12\ndirect\n0.015785 0.262027 0.031113 Li\n0.015592 0.762041 0.031143 Li\n0.317563 0.071303 0.635551 Li\n0.317738 0.571299 0.635530 Li\n0.006291 0.001185 0.012656 Cr\n0.327011 0.832149 0.654020 Cr\n0.006325 0.501185 0.012648 Cr\n0.327038 0.332149 0.654010 Cr\n0.666679 0.666667 0.333332 Co\n0.666674 0.166667 0.333334 Co\n0.843569 0.950881 0.687256 O\n0.843615 0.450880 0.687244 O\n0.160660 0.555834 0.321191 O\n0.160652 0.055833 0.321198 O\n0.172704 0.777502 0.345476 O\n0.508485 0.118624 0.017126 O\n0.824815 0.714710 0.649540 O\n0.824847 0.214709 0.649540 O\n0.508525 0.618625 0.017127 O\n0.489763 0.382454 0.979412 O\n0.172689 0.277499 0.345466 O\n0.489714 0.882455 0.979424 O\n",
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{
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"created_at": "2022-09-04T14:38:04.677711Z",
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"structure_string": "Li4 Cr3 Fe1 O8\n1.0\n5.801716 -0.001383 -0.003790\n-2.899656 5.025069 -0.000023\n-2.897904 -1.672569 4.756129\nLi Cr Fe O\n4 3 1 8\ndirect\n0.500001 0.500000 0.500001 Li\n0.500001 0.000000 0.500000 Li\n0.000000 -0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Cr\n0.500001 0.000000 0.000000 Cr\n-0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.514929 0.257460 0.772379 O\n0.985532 0.744762 0.226320 O\n0.518455 0.759223 0.773684 O\n0.014471 0.759220 0.773681 O\n0.985531 0.240781 0.226320 O\n0.481546 0.240778 0.226317 O\n0.014470 0.255239 0.773681 O\n0.485073 0.742541 0.227623 O\n",
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"structure_string": "Li4 Cr3 Co3 Sn2 O16\n1.0\n5.778047 -0.029376 0.015144\n-2.890226 5.034179 0.004075\n-0.099460 -0.065086 9.589062\nLi Cr Co Sn O\n4 3 3 2 16\ndirect\n0.664067 0.332025 0.892078 Li\n0.007946 0.003911 0.993932 Li\n0.005118 0.002610 0.495394 Li\n0.331558 0.665776 0.398044 Li\n0.830148 0.172122 0.215395 Cr\n0.830150 0.657963 0.215398 Cr\n0.657406 0.828718 0.715142 Cr\n0.171339 0.339708 0.714595 Co\n0.171341 0.831645 0.714597 Co\n0.341793 0.170864 0.214720 Co\n0.664110 0.332069 0.495730 Sn\n0.330332 0.665125 0.990886 Sn\n0.684453 0.842187 0.102284 O\n0.158205 0.315875 0.103339 O\n0.327592 0.663794 0.608883 O\n0.483491 0.969685 0.834231 O\n0.483513 0.513805 0.834212 O\n0.312790 0.156399 0.605407 O\n0.512755 0.481889 0.334634 O\n0.969943 0.484943 0.336854 O\n0.842616 0.686996 0.603114 O\n0.004809 0.002417 0.806893 O\n0.003996 0.001970 0.307471 O\n0.665324 0.332630 0.105342 O\n0.031614 0.515816 0.828132 O\n0.842597 0.155654 0.603133 O\n0.512773 0.030844 0.334643 O\n0.158213 0.842244 0.103354 O\n",
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{
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"structure_string": "Mg1 Be1 Tc2\n1.0\n-2.124391 2.124391 3.004224\n2.124391 -2.124391 3.004224\n2.124391 2.124391 -3.004224\nMg Be Tc\n1 1 2\ndirect\n0.749999 0.250000 0.500000 Mg\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.000000 Tc\n0.250000 0.749999 0.500000 Tc\n",
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}
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}