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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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"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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{
"id": "jvasp-44525",
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"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",
"nsites": 20,
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"volume": 190.6731424081105,
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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",
"nsites": 10,
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"spacegroup": 148
},
{
"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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"density_atomic": 0.10488588324411427,
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"formula_full": "Li3 V3 C6 O18",
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"spacegroup": 149
},
{
"id": "jvasp-112064",
"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",
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{
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"updated_at": "2022-09-04T14:36:16.941692Z",
"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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"formula_full": "Li5 Au1 O4",
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{
"id": "jvasp-47552",
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"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": "Th1 U1 Be26\n1.0\n6.259494 0.000000 3.613921\n2.086498 5.901508 3.613921\n-0.000000 -0.000000 7.227842\nTh U Be\n1 1 26\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.462899 0.686463 0.808242 Be\n0.042394 0.808242 0.686463 Be\n0.808242 0.042394 0.462900 Be\n0.686463 0.462900 0.042394 Be\n0.957605 0.313537 0.191758 Be\n0.537100 0.191758 0.313537 Be\n0.191758 0.537101 0.957606 Be\n0.313537 0.957606 0.537100 Be\n0.686463 0.808242 0.462899 Be\n0.808242 0.686463 0.042394 Be\n0.042394 0.462900 0.808242 Be\n0.462899 0.042394 0.686463 Be\n0.313537 0.191758 0.957606 Be\n0.191758 0.313537 0.537100 Be\n0.537100 0.957606 0.191758 Be\n0.957605 0.537101 0.313537 Be\n0.808242 0.462900 0.686463 Be\n0.686463 0.042394 0.808242 Be\n0.462899 0.808242 0.042394 Be\n0.042394 0.686463 0.462899 Be\n0.191758 0.957606 0.313536 Be\n0.313537 0.537101 0.191758 Be\n0.957605 0.191758 0.537100 Be\n0.537100 0.313537 0.957606 Be\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Be\n",
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{
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{
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"updated_at": "2022-09-04T14:38:46.900397Z",
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{
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"created_at": "2022-09-04T14:36:39.427433Z",
"updated_at": "2022-09-04T14:36:39.427466Z",
"structure_string": "Zn2 Ni3 O5\n1.0\n3.972043 -0.000289 3.335427\n1.715731 3.582373 3.335427\n0.001841 0.001159 6.703649\nZn Ni O\n2 3 5\ndirect\n0.598955 0.598955 0.200708 Zn\n0.401044 0.401044 0.799294 Zn\n0.000000 0.000000 0.000000 Ni\n0.798510 0.798510 0.599249 Ni\n0.201489 0.201489 0.400753 Ni\n0.093961 0.093961 0.207117 O\n0.500000 0.499999 0.000001 O\n0.294102 0.294102 0.604728 O\n0.906038 0.906038 0.792885 O\n0.705897 0.705897 0.395274 O\n",
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]
}