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{
"id": "jvasp-45900",
"created_at": "2022-09-04T14:38:05.142701Z",
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"structure_string": "Li2 Fe1 C2 O6\n1.0\n4.941055 0.154657 0.201127\n-2.673726 -1.213924 -4.469202\n-2.295463 5.419934 -0.099010\nLi Fe C O\n2 1 2 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.500003 0.000000 0.499999 Li\n0.000001 0.000000 -0.000001 Fe\n0.155965 0.577982 0.760116 C\n0.844038 0.422018 0.239883 C\n0.001139 0.710151 0.757663 O\n0.001124 0.290989 0.757663 O\n0.457373 0.728673 0.740557 O\n0.542631 0.271328 0.259442 O\n0.998881 0.709010 0.242336 O\n0.998864 0.289849 0.242336 O\n",
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"structure_string": "Li4 Si4 Ni2 O12\n1.0\n0.000000 5.325648 0.076025\n4.658578 0.000000 0.000000\n0.000000 -0.482039 -9.529310\nLi Si Ni O\n4 4 2 12\ndirect\n0.670892 0.195773 0.325496 Li\n0.839155 0.708085 0.482123 Li\n0.160845 0.208085 0.517877 Li\n0.329109 0.695774 0.674505 Li\n0.134837 0.218817 0.175475 Si\n0.309889 0.715464 0.343271 Si\n0.690111 0.215464 0.656729 Si\n0.865163 0.718817 0.824526 Si\n0.618464 0.619835 0.110943 Ni\n0.381536 0.119835 0.889057 Ni\n0.850244 0.368548 0.793596 O\n0.728127 0.857794 0.674091 O\n0.394663 0.278845 0.680976 O\n0.802091 0.301388 0.509921 O\n0.197909 0.801388 0.490079 O\n0.329464 0.323290 0.058434 O\n0.271873 0.357794 0.325910 O\n0.149757 0.868549 0.206405 O\n0.843370 0.307862 0.161923 O\n0.156630 0.807862 0.838077 O\n0.605338 0.778846 0.319024 O\n0.670536 0.823290 0.941566 O\n",
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{
"id": "jvasp-9754",
"created_at": "2022-09-04T14:38:12.545389Z",
"updated_at": "2022-09-04T14:38:12.545424Z",
"structure_string": "Tl2 Sn1 As2 S6\n1.0\n3.377047 -5.849216 -0.000000\n3.377047 5.849216 0.000000\n0.000000 -0.000000 7.241297\nTl Sn As S\n2 1 2 6\ndirect\n0.666668 0.333333 0.611914 Tl\n0.333333 0.666668 0.388086 Tl\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666668 0.928537 As\n0.666668 0.333333 0.071463 As\n0.664516 0.776588 0.769024 S\n0.223413 0.887929 0.769024 S\n0.112072 0.335485 0.769024 S\n0.335485 0.223413 0.230977 S\n0.776588 0.112072 0.230977 S\n0.887929 0.664516 0.230977 S\n",
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},
{
"id": "jvasp-34256",
"created_at": "2022-09-04T14:37:10.519621Z",
"updated_at": "2022-09-04T14:37:10.519647Z",
"structure_string": "Na2 Cu2 Te1 O6\n1.0\n5.270952 -0.004142 0.003565\n-2.015125 4.870479 0.003459\n-1.410041 -2.107642 5.412929\nNa Cu Te O\n2 2 1 6\ndirect\n0.815522 0.184484 0.499995 Na\n0.184480 0.815518 0.500007 Na\n0.335507 0.664475 0.000005 Cu\n0.664494 0.335526 -0.000004 Cu\n0.000000 0.000000 0.000000 Te\n0.756756 0.756761 0.161660 O\n0.025120 0.354094 0.218477 O\n0.243246 0.243240 0.838341 O\n0.354084 0.025104 0.218477 O\n0.974881 0.645908 0.781524 O\n0.645918 0.974898 0.781524 O\n",
"nsites": 11,
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"formula_full": "Na2 Cu2 Te1 O6",
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{
"id": "jvasp-10704",
"created_at": "2022-09-04T14:37:07.631024Z",
"updated_at": "2022-09-04T14:37:07.631043Z",
"structure_string": "K2 Sn1 As2 S6\n1.0\n3.377262 -5.849589 -0.000000\n3.377262 5.849589 0.000000\n0.000000 0.000000 7.195817\nK Sn As S\n2 1 2 6\ndirect\n0.333333 0.666667 0.403533 K\n0.666667 0.333333 0.596467 K\n0.000000 0.000000 0.000000 Sn\n0.333333 0.666667 0.935181 As\n0.666667 0.333333 0.064819 As\n0.105096 0.767021 0.772505 S\n0.338075 0.105096 0.227495 S\n0.894903 0.232978 0.227495 S\n0.767021 0.661924 0.227495 S\n0.232979 0.338075 0.772505 S\n0.661924 0.894903 0.772505 S\n",
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{
"id": "jvasp-57845",
"created_at": "2022-09-04T14:37:18.803595Z",
"updated_at": "2022-09-04T14:37:18.803622Z",
"structure_string": "Na4 Zn2 Si4 O12\n1.0\n5.712424 -0.051724 -0.165853\n-2.331699 5.215136 -0.165853\n0.064938 0.099180 9.980392\nNa Zn Si O\n4 2 4 12\ndirect\n0.387335 0.741593 0.105401 Na\n0.258408 0.612666 0.394599 Na\n0.612665 0.258408 0.894599 Na\n0.741592 0.387336 0.605401 Na\n0.728909 0.271092 0.250000 Zn\n0.271091 0.728910 0.750000 Zn\n0.167278 0.138941 0.137983 Si\n0.832722 0.861061 0.862017 Si\n0.138941 0.167278 0.637983 Si\n0.861059 0.832723 0.362017 Si\n0.091352 0.367536 0.192323 O\n0.908648 0.632465 0.807677 O\n0.000000 -0.000000 0.500000 O\n0.367536 0.091353 0.692323 O\n0.470844 0.229229 0.107647 O\n0.091966 0.908035 0.250000 O\n0.229229 0.470844 0.607647 O\n0.632464 0.908649 0.307678 O\n0.770771 0.529157 0.392353 O\n0.908034 0.091967 0.750000 O\n0.529156 0.770772 0.892353 O\n0.000000 0.000000 0.000000 O\n",
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"elements": [
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],
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{
"id": "jvasp-27213",
"created_at": "2022-09-04T14:37:10.915041Z",
"updated_at": "2022-09-04T14:37:10.915064Z",
"structure_string": "Ni4 Hg4 O2 F12\n1.0\n6.402519 -0.000000 3.696496\n2.134173 6.036352 3.696496\n-0.000000 -0.000000 7.392991\nNi Hg O F\n4 4 2 12\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500001 Hg\n0.500000 0.500000 0.000001 Hg\n-0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.375000 0.375000 0.375000 O\n0.625000 0.625000 0.625001 O\n0.928044 0.321956 0.321956 F\n0.678044 0.071956 0.071956 F\n0.678044 0.071956 0.678045 F\n0.071955 0.678044 0.071956 F\n0.321955 0.928044 0.321957 F\n0.321956 0.321956 0.928045 F\n0.928044 0.928044 0.321957 F\n0.928044 0.321956 0.928045 F\n0.071955 0.678044 0.678045 F\n0.321955 0.928044 0.928045 F\n0.678044 0.678044 0.071956 F\n0.071956 0.071956 0.678044 F\n",
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{
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"created_at": "2022-09-04T14:37:50.883800Z",
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"structure_string": "Li4 Ti4 Ni2 O12\n1.0\n5.130907 -0.037658 -0.000000\n-2.611021 4.417032 0.000000\n0.000000 -0.000000 10.253982\nLi Ti Ni O\n4 4 2 12\ndirect\n0.165513 0.665512 0.750000 Li\n0.334488 0.834487 0.250000 Li\n0.665513 0.165512 0.750000 Li\n0.834488 0.334487 0.250000 Li\n0.160180 0.839819 0.500000 Ti\n0.339820 0.660180 0.000000 Ti\n0.660181 0.339819 0.000000 Ti\n0.839820 0.160180 0.500000 Ti\n0.000000 0.000000 0.000000 Ni\n0.500000 0.499999 0.500000 Ni\n0.504904 0.142431 0.391062 O\n0.844786 0.844785 0.398445 O\n0.357569 0.995095 0.891062 O\n0.655214 0.655213 0.898444 O\n0.344786 0.344786 0.101555 O\n0.004904 0.642431 0.108937 O\n0.495096 0.857568 0.608937 O\n0.142431 0.504904 0.391062 O\n0.995096 0.357568 0.891062 O\n0.857569 0.495095 0.608937 O\n0.155214 0.155214 0.601555 O\n0.642431 0.004904 0.108937 O\n",
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"formula_full": "Li4 Ti4 Ni2 O12",
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{
"id": "jvasp-40482",
"created_at": "2022-09-04T14:37:56.101762Z",
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{
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"created_at": "2022-09-04T14:37:48.709621Z",
"updated_at": "2022-09-04T14:37:48.709648Z",
"structure_string": "Ba2 Ca1 B2 O6\n1.0\n4.997825 0.000036 2.266421\n1.972899 4.708183 2.293202\n0.029529 0.023786 6.578477\nBa Ca B O\n2 1 2 6\ndirect\n0.211976 0.260651 0.315394 Ba\n0.788022 0.739350 0.684605 Ba\n0.000000 -0.000000 -0.000000 Ca\n0.562884 0.628970 0.245260 B\n0.437114 0.371031 0.754739 B\n0.722738 0.378661 0.175862 O\n0.736534 0.238518 0.726642 O\n0.701699 0.761496 0.273334 O\n0.277261 0.621340 0.824137 O\n0.298300 0.238505 0.726666 O\n0.263465 0.761483 0.273357 O\n",
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"formula_anonymous": "AB2C2D6",
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},
{
"id": "jvasp-43315",
"created_at": "2022-09-04T14:35:55.699393Z",
"updated_at": "2022-09-04T14:35:55.699418Z",
"structure_string": "Li4 Ni4 Sn2 O12\n1.0\n5.150018 0.102134 0.000000\n-2.499768 4.503806 0.000000\n0.000000 0.000000 9.932264\nLi Ni Sn O\n4 4 2 12\ndirect\n0.135326 0.635326 0.750000 Li\n0.364674 0.864674 0.250000 Li\n0.635326 0.135326 0.750000 Li\n0.864674 0.364674 0.250000 Li\n0.162447 0.837554 0.500000 Ni\n0.337553 0.662447 0.000000 Ni\n0.662447 0.337553 0.000000 Ni\n0.837553 0.162446 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.538446 0.173239 0.390038 O\n0.852694 0.852694 0.400812 O\n0.326761 0.961555 0.890038 O\n0.647306 0.647306 0.900811 O\n0.352694 0.352694 0.099189 O\n0.038446 0.673240 0.109962 O\n0.461554 0.826761 0.609962 O\n0.173239 0.538446 0.390038 O\n0.961554 0.326760 0.890038 O\n0.826761 0.461554 0.609962 O\n0.147306 0.147306 0.599189 O\n0.673239 0.038445 0.109962 O\n",
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},
{
"id": "jvasp-47983",
"created_at": "2022-09-04T14:35:49.768970Z",
"updated_at": "2022-09-04T14:35:49.769000Z",
"structure_string": "Li2 Fe2 Co1 O6\n1.0\n2.814060 0.002781 -0.006344\n-0.004284 5.739066 -0.021221\n-1.392169 -1.724373 6.117003\nLi Fe Co O\n2 2 1 6\ndirect\n0.646070 0.302479 0.292659 Li\n0.353931 0.697522 0.707342 Li\n0.665214 0.837436 0.330454 Fe\n0.334787 0.162565 0.669546 Fe\n0.000001 0.500000 0.000000 Co\n0.511896 0.727356 0.023991 O\n0.157779 0.601482 0.315371 O\n0.823214 0.927943 0.646216 O\n0.176787 0.072058 0.353784 O\n0.842222 0.398520 0.684630 O\n0.488105 0.272645 0.976009 O\n",
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],
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}
]
}