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{
"id": "jvasp-48610",
"created_at": "2022-09-04T14:37:05.593311Z",
"updated_at": "2022-09-04T14:37:05.593333Z",
"structure_string": "Li1 Nb1 Te2 W1 O12\n1.0\n5.107997 -0.000587 -0.000398\n-0.002268 5.381332 -0.032451\n-0.006099 -0.444567 7.415912\nLi Nb Te W O\n1 1 2 1 12\ndirect\n0.501778 0.928407 0.281941 Li\n0.506237 0.504114 0.506597 Nb\n0.004779 0.008238 0.494341 Te\n0.493465 0.504595 0.998841 Te\n0.993848 0.006215 0.989692 W\n0.693615 0.200535 0.941391 O\n0.314383 0.186324 0.429096 O\n0.824259 0.315634 0.554434 O\n0.192743 0.303414 0.056002 O\n0.376783 0.506601 0.755031 O\n0.801105 0.705915 0.938941 O\n0.874282 0.010945 0.244333 O\n0.197019 0.710172 0.435535 O\n0.694309 0.827053 0.546182 O\n0.305951 0.817910 0.059428 O\n0.611953 0.520018 0.241172 O\n0.112135 0.005034 0.749605 O\n",
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{
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"created_at": "2022-09-04T14:37:03.944899Z",
"updated_at": "2022-09-04T14:37:03.944917Z",
"structure_string": "Li4 Nb1 Te3 O12\n1.0\n0.000000 4.965077 0.054115\n9.004508 0.000000 0.000000\n0.000000 -0.098407 -5.310337\nLi Nb Te O\n4 1 3 12\ndirect\n0.000000 0.316850 0.000000 Li\n0.500000 0.156655 -0.000000 Li\n-0.000000 0.692263 0.500000 Li\n0.500000 0.813720 0.500000 Li\n0.000000 0.897778 0.000000 Nb\n0.500000 0.594157 -0.000000 Te\n-0.000000 0.086107 0.500000 Te\n0.500000 0.399686 0.500000 Te\n0.781492 0.058177 0.821504 O\n0.293443 0.579764 0.678472 O\n0.201479 0.900934 0.678925 O\n0.224434 0.234406 0.689470 O\n0.775566 0.234406 0.310530 O\n0.281562 0.436753 0.151825 O\n0.706557 0.579764 0.321527 O\n0.218508 0.058177 0.178496 O\n0.718438 0.436753 0.848175 O\n0.265390 0.740818 0.150253 O\n0.798521 0.900934 0.321074 O\n0.734610 0.740818 0.849747 O\n",
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"density_atomic": 0.08425771197439565,
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{
"id": "jvasp-49910",
"created_at": "2022-09-04T14:37:04.441254Z",
"updated_at": "2022-09-04T14:37:04.441274Z",
"structure_string": "Li3 Nb3 Te1 O12\n1.0\n5.156774 -0.003346 -0.002095\n0.022623 5.507440 0.014613\n0.026045 0.599437 7.547000\nLi Nb Te O\n3 3 1 12\ndirect\n0.502623 0.002645 0.753435 Li\n0.492623 0.988081 0.251948 Li\n0.003823 0.500550 0.744220 Li\n0.498358 0.561327 0.530218 Nb\n0.493247 0.569519 0.035063 Nb\n0.998404 0.064046 0.528735 Nb\n0.000991 0.079873 0.036017 Te\n0.305208 0.267915 0.112643 O\n0.692251 0.275261 0.613861 O\n0.177539 0.402934 0.503168 O\n0.820375 0.392011 0.976229 O\n0.608743 0.602315 0.290765 O\n0.810400 0.779859 0.615915 O\n0.204987 0.797670 0.112373 O\n0.136013 0.104396 0.798037 O\n0.325907 0.914962 0.488858 O\n0.694126 0.904602 0.979433 O\n0.371159 0.608940 0.797567 O\n0.865231 0.085544 0.281930 O\n",
"nsites": 19,
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"density_atomic": 0.08866275189223388,
"volume": 214.29517575874206,
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"formula_full": "Li3 Nb3 Te1 O12",
"formula_reduced": "Li3Nb3TeO12",
"formula_anonymous": "AB3C3D12",
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{
"id": "jvasp-49834",
"created_at": "2022-09-04T14:37:09.102310Z",
"updated_at": "2022-09-04T14:37:09.102320Z",
"structure_string": "Li1 Nb1 Te3 O12\n1.0\n5.084914 0.002763 -0.000317\n0.010058 5.366163 0.040747\n0.000394 0.452721 7.391231\nLi Nb Te O\n1 1 3 12\ndirect\n0.001533 0.424765 0.213165 Li\n0.995294 0.004714 0.994251 Nb\n0.494432 0.510006 0.999316 Te\n0.001509 0.002766 0.504529 Te\n0.504051 0.508120 0.506464 Te\n0.305228 0.211612 0.066191 O\n0.188590 0.323227 0.435910 O\n0.810534 0.333811 0.955203 O\n0.361952 0.508206 0.750533 O\n0.637419 0.513813 0.256156 O\n0.818912 0.690011 0.574040 O\n0.128214 0.008680 0.746673 O\n0.674505 0.820963 0.947097 O\n0.885989 0.023730 0.260926 O\n0.688864 0.195788 0.576708 O\n0.186775 0.687662 0.072083 O\n0.316192 0.817711 0.433551 O\n",
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"formula_full": "Li1 Nb1 Te3 O12",
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{
"id": "jvasp-42486",
"created_at": "2022-09-04T14:36:54.386105Z",
"updated_at": "2022-09-04T14:36:54.386123Z",
"structure_string": "Li1 Nb1 Te3 O12\n1.0\n0.000000 4.873911 -0.022190\n8.692999 0.000000 0.000000\n0.000000 -0.008370 -5.219902\nLi Nb Te O\n1 1 3 12\ndirect\n0.000000 0.726486 0.000000 Li\n0.000000 0.108326 0.000000 Nb\n0.500000 0.416946 0.000000 Te\n-0.000000 0.919463 0.500000 Te\n0.500000 0.605721 0.500000 Te\n0.800482 0.918403 0.186100 O\n0.288114 0.442522 0.316552 O\n0.216647 0.072163 0.318063 O\n0.243110 0.751457 0.352658 O\n0.756889 0.751457 0.647341 O\n0.711886 0.442522 0.683448 O\n0.719320 0.582438 0.180514 O\n0.199518 0.918403 0.813900 O\n0.280680 0.582438 0.819486 O\n0.258572 0.262637 0.875390 O\n0.783353 0.072163 0.681937 O\n0.741427 0.262637 0.124609 O\n",
"nsites": 17,
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"density_atomic": 0.0768663355141384,
"volume": 221.16313840501874,
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"formula_full": "Li1 Nb1 Te3 O12",
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},
{
"id": "jvasp-50699",
"created_at": "2022-09-04T14:35:53.488187Z",
"updated_at": "2022-09-04T14:35:53.488204Z",
"structure_string": "Li1 Nb1 Te3 O12\n1.0\n0.000000 4.895073 0.044854\n8.552244 0.000000 0.000000\n0.000000 -0.140210 -5.276549\nLi Nb Te O\n1 1 3 12\ndirect\n0.500000 0.804042 0.500001 Li\n0.000000 0.899218 0.000000 Nb\n0.500000 0.576467 0.000000 Te\n0.500000 0.395243 0.500001 Te\n0.000000 0.086905 0.500000 Te\n0.795099 0.066715 0.799813 O\n0.293564 0.568387 0.672569 O\n0.219734 0.924591 0.679304 O\n0.249454 0.248095 0.642852 O\n0.750545 0.248095 0.357149 O\n0.706435 0.568387 0.327432 O\n0.715311 0.415214 0.820737 O\n0.204901 0.066715 0.200188 O\n0.284689 0.415214 0.179264 O\n0.267594 0.738917 0.123824 O\n0.780265 0.924591 0.320697 O\n0.732405 0.738917 0.876178 O\n",
"nsites": 17,
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],
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"density_atomic": 0.07697779146898358,
"volume": 220.84291684114837,
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"formula_full": "Li1 Nb1 Te3 O12",
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},
{
"id": "jvasp-57139",
"created_at": "2022-09-04T14:38:34.790795Z",
"updated_at": "2022-09-04T14:38:34.790813Z",
"structure_string": "Sr1 Li2 Nb2 O7\n1.0\n3.921675 0.002700 -0.841273\n-0.182918 3.917409 -0.841273\n-0.018220 -0.019103 9.477598\nSr Li Nb O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250018 0.749982 0.500000 Li\n0.749980 0.250019 0.500000 Li\n0.383028 0.383029 0.766130 Nb\n0.616970 0.616972 0.233871 Nb\n0.106080 0.606072 0.212151 O\n0.606071 0.106081 0.212151 O\n0.722154 0.722155 0.444305 O\n0.393927 0.893920 0.787850 O\n0.277844 0.277846 0.555695 O\n0.499999 0.500000 0.000000 O\n0.893918 0.393929 0.787850 O\n",
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"elements": [
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],
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"density_atomic": 0.08248488392407025,
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"formula_full": "Sr1 Li2 Nb2 O7",
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},
{
"id": "jvasp-50846",
"created_at": "2022-09-04T14:37:08.416389Z",
"updated_at": "2022-09-04T14:37:08.416411Z",
"structure_string": "Sr2 Li2 Nb4 O13\n1.0\n0.000000 3.999658 -0.000000\n1.999828 -1.999828 17.151040\n3.999658 0.000000 0.000000\nSr Li Nb O\n2 2 4 13\ndirect\n0.617475 0.234948 0.382526 Sr\n0.382526 0.765052 0.617475 Sr\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750001 Li\n0.943373 0.886747 0.056627 Nb\n0.820469 0.640939 0.179532 Nb\n0.056627 0.113253 0.943374 Nb\n0.179532 0.359061 0.820469 Nb\n0.563294 0.126586 0.936707 O\n0.673700 0.347400 0.826301 O\n0.235006 0.470014 0.764995 O\n0.117634 0.235268 0.882366 O\n0.882366 0.764732 0.117635 O\n0.173700 0.347400 0.326301 O\n0.436706 0.873414 0.063294 O\n0.326300 0.652600 0.173700 O\n0.936707 0.873414 0.563294 O\n0.063293 0.126586 0.436707 O\n0.000000 0.000000 0.000000 O\n0.764994 0.529986 0.235006 O\n0.826300 0.652600 0.673700 O\n",
"nsites": 21,
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"formula_full": "Sr2 Li2 Nb4 O13",
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},
{
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"created_at": "2022-09-04T14:37:38.067581Z",
"updated_at": "2022-09-04T14:37:38.067611Z",
"structure_string": "Li2 Nb2 P4 O14\n1.0\n0.000000 4.955068 0.001654\n8.594915 0.000000 0.000000\n0.000000 -2.267932 -6.788817\nLi Nb P O\n2 2 4 14\ndirect\n0.179179 0.206238 0.659678 Li\n0.820822 0.706238 0.340323 Li\n0.205762 0.554703 0.723058 Nb\n0.794239 0.054703 0.276943 Nb\n0.405780 0.879524 0.539686 P\n0.215997 0.264813 0.077875 P\n0.784004 0.764813 0.922126 P\n0.594221 0.379525 0.460315 P\n0.787199 0.523735 0.497512 O\n0.765880 0.228311 0.492534 O\n0.615385 0.879347 0.421097 O\n0.389896 0.116650 0.081954 O\n0.411811 0.391812 0.230839 O\n0.588190 0.891812 0.769162 O\n0.212802 0.023735 0.502489 O\n0.384617 0.379347 0.578904 O\n0.234121 0.728311 0.507467 O\n0.856526 0.843624 0.122400 O\n0.143475 0.343625 0.877601 O\n0.042159 0.734587 0.855722 O\n0.610105 0.616649 0.918047 O\n0.957842 0.234587 0.144279 O\n",
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"elements": [
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"formula_full": "Li2 Nb2 P4 O14",
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},
{
"id": "jvasp-31081",
"created_at": "2022-09-04T14:38:33.262503Z",
"updated_at": "2022-09-04T14:38:33.262528Z",
"structure_string": "Li12 Nb4 O16\n1.0\n6.909948 -0.000000 -2.443036\n-3.454974 5.984191 -2.443036\n0.000000 0.000000 7.329106\nLi Nb O\n12 4 16\ndirect\n0.515191 0.273988 0.999989 Li\n0.274000 0.515203 0.000011 Li\n0.726001 0.726012 0.241203 Li\n0.484797 0.758796 0.484809 Li\n0.484809 0.484796 0.758796 Li\n0.726012 0.241204 0.726000 Li\n0.000012 0.274000 0.515204 Li\n0.273989 0.999988 0.515191 Li\n0.241204 0.726000 0.726012 Li\n0.515204 0.000012 0.274000 Li\n0.999989 0.515191 0.273988 Li\n0.758797 0.484809 0.484796 Li\n0.282093 0.282093 0.282093 Nb\n-0.000000 -0.000000 0.717908 Nb\n0.000000 0.717907 -0.000000 Nb\n0.717908 0.000000 -0.000000 Nb\n-0.000003 0.757671 0.511585 O\n0.488412 0.488415 0.246085 O\n0.488415 0.246086 0.488412 O\n0.242326 0.753914 0.242329 O\n0.511589 0.757674 0.000003 O\n0.511585 -0.000003 0.757671 O\n0.242329 0.242326 0.753915 O\n0.757674 0.000003 0.511588 O\n0.246086 0.488412 0.488415 O\n0.228589 0.000000 -0.000000 O\n-0.000000 -0.000000 0.228589 O\n0.000000 0.228589 -0.000000 O\n0.771412 0.771411 0.771411 O\n0.000003 0.511588 0.757674 O\n0.757671 0.511585 -0.000004 O\n0.753915 0.242329 0.242326 O\n",
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"formula_full": "Li12 Nb4 O16",
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"spacegroup": 217
},
{
"id": "jvasp-50523",
"created_at": "2022-09-04T14:37:06.029735Z",
"updated_at": "2022-09-04T14:37:06.029766Z",
"structure_string": "Li8 Nb2 O8\n1.0\n4.187720 3.467704 0.000000\n-4.187720 3.467704 0.000000\n0.000000 -0.000000 6.484888\nLi Nb O\n8 2 8\ndirect\n0.154403 0.845595 0.000000 Li\n0.154403 0.845595 0.500000 Li\n0.580826 0.865483 0.250000 Li\n0.134516 0.419173 0.750000 Li\n0.865483 0.580826 0.250000 Li\n0.419173 0.134516 0.750000 Li\n0.845595 0.154403 0.000000 Li\n0.845595 0.154403 0.500000 Li\n0.348253 0.348253 0.250000 Nb\n0.651746 0.651746 0.750000 Nb\n0.234220 0.672198 0.250000 O\n0.327800 0.765779 0.750000 O\n0.220220 0.220220 0.515443 O\n0.220220 0.220220 0.984557 O\n0.779779 0.779779 0.015443 O\n0.779779 0.779779 0.484557 O\n0.672198 0.234220 0.250000 O\n0.765779 0.327800 0.750000 O\n",
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"formula_full": "Li8 Nb2 O8",
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},
{
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"created_at": "2022-09-04T14:36:13.462079Z",
"updated_at": "2022-09-04T14:36:13.462096Z",
"structure_string": "Li3 Nb1 O4\n1.0\n5.875114 -0.000000 -0.000000\n5.875114 5.143382 0.038740\n2.937557 3.447215 2.437244\nLi Nb O\n3 1 4\ndirect\n0.250000 0.500000 -0.000000 Li\n0.749999 0.500000 -0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Nb\n0.230827 0.000025 0.538296 O\n0.769172 -0.000023 0.461702 O\n0.499999 0.500001 0.499999 O\n-0.000001 0.500001 0.499999 O\n",
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"formula_full": "Li3 Nb1 O4",
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}
]
}