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{
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"results": [
{
"id": "jvasp-47552",
"created_at": "2022-09-04T14:36:35.036654Z",
"updated_at": "2022-09-04T14:36:35.036669Z",
"structure_string": "Li2 V2 Si2 O8\n1.0\n-0.000000 3.897442 3.897442\n4.197291 -0.091294 3.988737\n4.197291 3.988737 -0.091294\nLi V Si O\n2 2 2 8\ndirect\n0.006042 0.993960 0.993960 Li\n0.243960 0.256040 0.256040 Li\n0.625001 0.625000 0.125000 V\n0.625001 0.125000 0.625000 V\n0.625001 0.625000 0.625000 Si\n0.125001 0.625000 0.625000 Si\n0.831157 0.411425 0.411425 O\n0.345993 0.411425 0.411425 O\n0.380316 0.830594 0.408776 O\n0.869686 0.841224 0.419406 O\n0.869686 0.419406 0.841224 O\n0.380316 0.408776 0.830594 O\n0.418845 0.838574 0.838574 O\n0.904009 0.838574 0.838574 O\n",
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{
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"structure_string": "Li5 Au1 O4\n1.0\n3.499882 0.027124 0.061045\n1.710114 5.157126 -0.032754\n1.649163 0.433185 5.319833\nLi Au O\n5 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.816057 0.979982 0.387694 Li\n0.682700 0.657293 0.977244 Li\n0.317297 0.342706 0.022757 Li\n0.183941 0.020017 0.612307 Li\n0.499999 0.500000 0.500001 Au\n0.757527 0.312502 0.172882 O\n0.573346 0.146937 0.706923 O\n0.426651 0.853062 0.293078 O\n0.242471 0.687497 0.827119 O\n",
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"volume": 95.34690408846726,
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"formula_full": "Li5 Au1 O4",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:38:43.588422Z",
"updated_at": "2022-09-04T14:38:43.588433Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.496240 -0.200018 -1.138609\n-2.550008 6.994079 -1.400807\n-0.263689 0.476400 9.790473\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.196207 0.312812 0.902877 Al\n0.406441 0.728737 0.533225 H\n0.794590 0.499479 0.443904 H\n0.448214 0.403007 0.494956 H\n0.721191 0.653748 0.732193 H\n0.084099 0.729585 0.687969 H\n0.573598 0.192320 0.263573 H\n0.795984 0.054451 0.226325 H\n0.351664 0.626502 0.351268 H\n0.922437 0.178277 0.491910 H\n-0.005698 0.921982 0.570000 H\n0.917271 0.835181 0.383158 H\n0.395950 0.830372 0.976419 H\n0.980363 0.737384 0.960546 H\n0.296935 0.752510 0.199095 H\n0.085117 -0.093308 0.206633 H\n0.521674 0.050854 0.479556 H\n0.209304 0.861777 0.012128 C\n0.288080 0.889050 0.177600 C\n0.804627 0.873129 0.462056 C\n0.710434 0.046368 0.432107 C\n0.602381 0.054493 0.270907 C\n0.655168 0.534957 0.510365 C\n0.533247 0.690455 0.460734 C\n0.971038 0.467052 0.745686 C\n0.162403 0.027458 0.956904 C\n0.863575 0.606928 0.673360 C\n0.572502 0.520795 0.088307 Cl\n0.835723 0.381496 0.831184 O\n0.021363 0.127368 0.007777 O\n0.274492 0.088297 0.855991 O\n0.224366 0.433918 0.740947 O\n",
"nsites": 32,
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"formula_full": "Al1 H16 C10 Cl1 O4",
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{
"id": "jvasp-111964",
"created_at": "2022-09-04T14:38:28.352306Z",
"updated_at": "2022-09-04T14:38:28.352331Z",
"structure_string": "Li3 V3 C6 O18\n1.0\n7.982813 0.046029 0.020881\n4.061968 6.872251 0.020881\n0.009157 0.005260 5.231600\nLi V C O\n3 3 6 18\ndirect\n0.665507 0.001102 0.499837 Li\n-0.001101 0.334493 0.500163 Li\n0.332189 0.667811 0.500000 Li\n0.326384 0.006939 0.000013 V\n0.993061 0.673616 -0.000013 V\n0.659707 0.340293 -0.000000 V\n0.334507 0.333093 0.760362 C\n0.333554 0.332175 0.239583 C\n0.000218 0.998838 0.239613 C\n0.666907 0.665493 0.239638 C\n0.667825 0.666446 0.760417 C\n0.001162 0.999782 0.760387 C\n0.231507 0.520716 0.233269 O\n0.522152 0.242269 0.240322 O\n0.247096 0.231174 0.240549 O\n0.435508 0.419555 0.759406 O\n0.102172 0.086237 0.759442 O\n0.898165 0.187375 0.233311 O\n0.145964 0.435158 0.766641 O\n0.855502 0.575590 0.240345 O\n0.564843 0.854036 0.233358 O\n0.757731 0.477849 0.759678 O\n0.768827 0.752904 0.759450 O\n0.580445 0.564492 0.240593 O\n0.913764 0.897828 0.240557 O\n0.424410 0.144498 0.759655 O\n0.479284 0.768493 0.766730 O\n0.188818 0.908928 0.240356 O\n0.091072 0.811183 0.759643 O\n0.812625 0.101835 0.766689 O\n",
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"formula_full": "Li3 V3 C6 O18",
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{
"id": "jvasp-47518",
"created_at": "2022-09-04T14:37:03.291390Z",
"updated_at": "2022-09-04T14:37:03.291419Z",
"structure_string": "Mg2 Co2 O6\n1.0\n-2.214353 1.647503 4.088014\n0.000000 2.760006 -4.088013\n-3.131272 -1.573165 -4.037825\nMg Co O\n2 2 6\ndirect\n0.639883 0.360114 0.919655 Mg\n0.360115 0.639885 0.080344 Mg\n0.839845 0.160153 0.519542 Co\n0.160153 0.839847 0.480458 Co\n0.954906 0.784159 0.731807 O\n0.561056 0.045091 0.731808 O\n0.215840 0.438942 0.731808 O\n0.784158 0.561058 0.268192 O\n0.438942 0.954909 0.268192 O\n0.045092 0.215841 0.268192 O\n",
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],
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"density": 4.571611209314861,
"density_atomic": 0.1048904391651493,
"volume": 95.33757394470497,
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"formula_full": "Mg2 Co2 O6",
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"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-44525",
"created_at": "2022-09-04T14:38:09.964189Z",
"updated_at": "2022-09-04T14:38:09.964204Z",
"structure_string": "Li4 Fe3 Te1 O12\n1.0\n0.000000 4.788770 -0.012102\n8.097378 0.000000 0.000000\n0.000000 -0.075143 -4.917047\nLi Fe Te O\n4 3 1 12\ndirect\n0.000000 0.698616 0.000000 Li\n0.500000 0.802056 -0.000000 Li\n0.000000 0.333537 0.500000 Li\n0.500000 0.204215 0.500000 Li\n0.500000 0.424671 -0.000000 Fe\n0.000000 0.897085 0.500000 Fe\n0.500000 0.606791 0.500000 Fe\n0.000000 0.101778 0.000000 Te\n0.794054 0.918051 0.175583 O\n0.304945 0.433983 0.313486 O\n0.207480 0.079392 0.336285 O\n0.246664 0.755231 0.357349 O\n0.753336 0.755231 0.642651 O\n0.301205 0.587089 0.817630 O\n0.695055 0.433983 0.686514 O\n0.205947 0.918051 0.824417 O\n0.698796 0.587089 0.182370 O\n0.252030 0.262420 0.839046 O\n0.792520 0.079392 0.663715 O\n0.747971 0.262420 0.160954 O\n",
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],
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"formula_full": "Li4 Fe3 Te1 O12",
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{
"id": "jvasp-47449",
"created_at": "2022-09-04T14:37:01.290268Z",
"updated_at": "2022-09-04T14:37:01.290299Z",
"structure_string": "Li2 Mn2 Si2 O8\n1.0\n-4.316848 3.932867 0.090502\n4.316848 0.090502 3.932867\n4.316848 3.932867 0.090502\nLi Mn Si O\n2 2 2 8\ndirect\n0.991897 -0.000001 0.008104 Li\n0.258103 0.500000 0.241897 Li\n0.625000 0.249999 0.625001 Mn\n0.125000 0.750000 0.625000 Mn\n0.625000 0.250000 0.125000 Si\n0.625000 0.750000 0.625001 Si\n0.838297 0.211121 0.372825 O\n0.838149 0.736387 0.425465 O\n0.411852 0.236386 0.351761 O\n0.838149 0.263613 0.898240 O\n0.411703 0.288878 0.877176 O\n0.833947 0.711121 0.877176 O\n0.416053 0.788879 0.372825 O\n0.411851 0.763613 0.824536 O\n",
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],
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"formula_full": "Li2 Mn2 Si2 O8",
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{
"id": "jvasp-110733",
"created_at": "2022-09-04T14:38:39.854474Z",
"updated_at": "2022-09-04T14:38:39.854494Z",
"structure_string": "Li2 Fe1 Te1 O6\n1.0\n5.013995 -0.012151 -0.000919\n-2.498731 3.636883 -2.380873\n0.001057 -0.019135 5.249122\nLi Fe Te O\n2 1 1 6\ndirect\n0.713443 0.426867 0.140278 Li\n0.208974 0.417921 0.626947 Li\n0.998765 0.997536 0.996295 Fe\n0.497936 0.995881 0.493821 Te\n0.627006 0.514994 0.775570 O\n0.778073 0.157711 0.269783 O\n0.887953 0.148492 0.775520 O\n0.112109 0.890163 0.269765 O\n0.260509 0.887509 0.775505 O\n0.379628 0.491713 0.269708 O\n",
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],
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{
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"created_at": "2022-09-04T14:36:36.523069Z",
"updated_at": "2022-09-04T14:36:36.523088Z",
"structure_string": "Na2 B2 C2\n1.0\n2.813400 0.000000 -0.000000\n-1.406700 2.436476 0.000000\n0.000000 0.000000 8.344050\nNa B C\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.333334 0.666668 0.750000 B\n0.666667 0.333334 0.250000 B\n0.333334 0.666668 0.250000 C\n0.666667 0.333334 0.750000 C\n",
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{
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"created_at": "2022-09-04T14:36:35.339321Z",
"updated_at": "2022-09-04T14:36:35.339350Z",
"structure_string": "Be2 Co1 Si1\n1.0\n3.271829 0.000000 1.888991\n1.090610 3.084710 1.888991\n0.000000 0.000000 3.777982\nBe Co Si\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.749999 Co\n0.500000 0.500000 0.499999 Si\n",
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},
{
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"created_at": "2022-09-04T14:38:00.321415Z",
"updated_at": "2022-09-04T14:38:00.321446Z",
"structure_string": "Li8 Cr2 O10\n1.0\n4.322170 2.873436 0.000510\n-4.322170 2.873436 -0.000510\n-1.117570 0.000000 7.674763\nLi Cr O\n8 2 10\ndirect\n0.363194 0.966216 0.648184 Li\n0.033786 0.636807 0.148185 Li\n0.221660 0.437739 0.555103 Li\n0.562262 0.778341 0.055103 Li\n0.437739 0.221660 0.944896 Li\n0.778341 0.562262 0.444896 Li\n0.966216 0.363194 0.851815 Li\n0.636807 0.033786 0.351815 Li\n0.170161 0.170161 0.250000 Cr\n0.829840 0.829841 0.750000 Cr\n0.646882 0.014800 0.841156 O\n0.014800 0.646882 0.658843 O\n0.353120 0.985202 0.158844 O\n0.589232 0.768208 0.569814 O\n0.231794 0.410770 0.069815 O\n0.132376 0.132376 0.750000 O\n0.867626 0.867626 0.250000 O\n0.768208 0.589232 0.930185 O\n0.410770 0.231794 0.430185 O\n0.985202 0.353120 0.341156 O\n",
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],
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"formula_full": "Li8 Cr2 O10",
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{
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"created_at": "2022-09-04T14:37:01.824361Z",
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"structure_string": "H14 C12 S2 N2\n1.0\n4.442827 -0.078137 -0.890871\n-2.365879 6.720448 -0.666579\n0.015813 0.079374 9.619783\nH C S N\n14 12 2 2\ndirect\n0.227916 0.687672 0.558649 H\n0.980856 0.337806 0.026284 H\n0.980859 0.837807 0.526285 H\n0.421953 0.347054 0.314906 H\n0.421954 0.847055 0.814907 H\n0.539198 0.117818 0.665102 H\n0.610898 0.481600 0.617433 H\n0.539197 0.617817 0.165101 H\n0.246971 0.314676 0.789525 H\n0.246973 0.814677 0.289526 H\n0.185344 0.499527 0.285624 H\n0.185344 -0.000472 0.785625 H\n0.227916 0.187670 0.058648 H\n0.610898 0.981600 0.117434 H\n0.585659 0.537133 0.965995 C\n0.200905 0.330007 0.095360 C\n0.200904 0.830007 0.595360 C\n0.189872 0.348475 0.253657 C\n0.189870 0.848474 0.753657 C\n0.585662 0.037134 0.465996 C\n0.665242 0.035107 0.232164 C\n0.923651 0.200441 0.299356 C\n0.470637 0.440699 0.825730 C\n0.470637 0.940699 0.325731 C\n0.665244 0.535109 0.732164 C\n0.923651 0.700442 0.799356 C\n0.933540 0.243054 0.482106 S\n0.933539 0.743054 0.982105 S\n0.487782 0.995366 0.590015 N\n0.487780 0.495365 0.090015 N\n",
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"elements": [
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],
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}