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{
"id": "jvasp-43807",
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"updated_at": "2022-09-04T14:36:10.445750Z",
"structure_string": "Na7 Nb1 O6\n1.0\n6.365352 -0.027612 -0.027140\n3.121424 5.548485 -0.026363\n3.124976 1.815821 5.240646\nNa Nb O\n7 1 6\ndirect\n0.704599 0.501249 0.115326 Na\n0.246097 0.482080 0.955679 Na\n0.478162 0.957003 0.249651 Na\n0.952910 0.250511 0.481280 Na\n0.651331 0.655153 0.655208 Na\n0.112207 0.708648 0.499379 Na\n0.496774 0.116474 0.707301 Na\n0.998578 0.002839 0.001571 Nb\n0.885395 0.677351 0.215509 O\n0.069833 0.340123 0.814143 O\n0.335909 0.816072 0.072913 O\n0.811554 0.074791 0.338477 O\n0.212205 0.888984 0.676371 O\n0.673078 0.216151 0.888262 O\n",
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{
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"structure_string": "Nd6 Au8\n1.0\n7.547584 0.016075 -3.363913\n-5.186919 5.482896 -3.363915\n0.006900 0.016077 8.263286\nNd Au\n6 8\ndirect\n0.271905 0.399318 0.015927 Nd\n0.015928 0.271905 0.399317 Nd\n0.399317 0.015928 0.271905 Nd\n0.728096 0.600684 0.984074 Nd\n0.984073 0.728097 0.600684 Nd\n0.600684 0.984074 0.728096 Nd\n0.438022 0.766428 0.927310 Au\n0.927310 0.438022 0.766428 Au\n0.766427 0.927311 0.438022 Au\n0.561979 0.233574 0.072691 Au\n0.072691 0.561980 0.233573 Au\n0.233573 0.072691 0.561980 Au\n0.500000 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n",
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"volume": 343.4609927720764,
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{
"id": "jvasp-48807",
"created_at": "2022-09-04T14:36:13.309483Z",
"updated_at": "2022-09-04T14:36:13.309512Z",
"structure_string": "Li2 Mn4 O2 F6\n1.0\n0.000000 6.217567 0.000000\n-5.384633 3.108783 0.000101\n0.000020 0.000000 5.185106\nLi Mn O F\n2 4 2 6\ndirect\n0.666658 0.666684 0.021587 Li\n0.333342 0.333316 0.978413 Li\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666669 0.666660 0.664338 O\n0.333331 0.333339 0.335663 O\n0.348402 0.825800 0.210982 F\n0.825798 0.825800 0.210982 F\n0.174222 0.651554 0.789058 F\n0.825778 0.348445 0.210942 F\n0.651599 0.174200 0.789018 F\n0.174202 0.174200 0.789018 F\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.0806480394392868,
"volume": 173.5938046025215,
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"formula_full": "Li2 Mn4 O2 F6",
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{
"id": "jvasp-88458",
"created_at": "2022-09-04T14:36:12.764987Z",
"updated_at": "2022-09-04T14:36:12.765006Z",
"structure_string": "Fe1 Hg1 C4 S4 N4\n1.0\n4.077282 0.000000 1.099743\n2.038641 7.934169 0.549871\n-0.027558 0.000000 8.210280\nFe Hg C S N\n1 1 4 4 4\ndirect\n0.749999 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Hg\n0.209201 0.191584 0.640659 C\n0.150139 0.640659 0.808416 C\n0.599214 0.359341 0.191584 C\n0.041444 0.808416 0.359341 C\n0.440349 0.024903 0.710498 S\n0.849151 0.710499 0.975096 S\n0.534747 0.289501 0.024903 S\n0.175751 0.975097 0.289501 S\n0.043738 0.311444 0.587634 N\n0.368628 0.587634 0.688555 N\n0.644817 0.412366 0.311444 N\n0.942816 0.688556 0.412366 N\n",
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],
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"density_atomic": 0.05266291149905961,
"volume": 265.84173949915385,
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{
"id": "jvasp-42676",
"created_at": "2022-09-04T14:36:12.784293Z",
"updated_at": "2022-09-04T14:36:12.784319Z",
"structure_string": "Li2 Cu2 Sb2 O8\n1.0\n6.104366 -0.000000 -0.000000\n3.052182 5.465155 0.327464\n3.052182 2.130454 5.043442\nLi Cu Sb O\n2 2 2 8\ndirect\n0.094680 0.155321 0.155321 Li\n0.905322 0.844678 0.844678 Li\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.499999 0.499999 Sb\n0.500001 0.499999 0.499999 Sb\n0.244275 0.284344 0.284344 O\n0.235414 0.280946 0.748226 O\n0.235414 0.748226 0.280947 O\n0.687038 0.284344 0.284344 O\n0.312963 0.715655 0.715655 O\n0.764587 0.719052 0.251773 O\n0.764587 0.251773 0.719052 O\n0.755726 0.715655 0.715655 O\n",
"nsites": 14,
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"formula_full": "Li2 Cu2 Sb2 O8",
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{
"id": "jvasp-86651",
"created_at": "2022-09-04T14:36:09.247247Z",
"updated_at": "2022-09-04T14:36:09.247283Z",
"structure_string": "Y3 Ni4 B4 C3\n1.0\n3.544692 -0.000000 -0.487290\n-0.066987 3.544059 -0.487290\n-0.022881 -0.023318 12.969766\nY Ni B C\n3 4 4 3\ndirect\n0.700765 0.700766 0.401531 Y\n0.299234 0.299234 0.598469 Y\n0.000000 0.000000 0.000000 Y\n0.899491 0.399491 0.798983 Ni\n0.100508 0.600509 0.201017 Ni\n0.600508 0.100508 0.201017 Ni\n0.399491 0.899491 0.798983 Ni\n0.854970 0.854971 0.709942 B\n0.558507 0.558508 0.117015 B\n0.145029 0.145029 0.290059 B\n0.441492 0.441492 0.882985 B\n0.796579 0.796580 0.593159 C\n0.203420 0.203420 0.406841 C\n0.499999 0.500000 -0.000000 C\n",
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],
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"formula_full": "Y3 Ni4 B4 C3",
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{
"id": "jvasp-89320",
"created_at": "2022-09-04T14:36:00.612274Z",
"updated_at": "2022-09-04T14:36:00.612300Z",
"structure_string": "Cd1 Hg1 Se4 C4 N4\n1.0\n4.201857 0.001945 1.150782\n2.104255 8.342248 0.576433\n-0.098552 0.001100 8.621562\nCd Hg Se C N\n1 1 4 4 4\ndirect\n0.750145 0.499890 0.499744 Cd\n-0.000040 -0.000000 0.000049 Hg\n0.466089 0.007490 0.719127 Se\n0.816252 0.718865 0.992819 Se\n0.526563 0.281075 0.007494 Se\n0.190702 0.992791 0.281324 Se\n0.227061 0.184647 0.643139 C\n0.130642 0.643182 0.815338 C\n0.588313 0.356891 0.184632 C\n0.053986 0.815346 0.356867 C\n0.074761 0.300424 0.593333 N\n0.332260 0.593507 0.699353 N\n0.624824 0.406525 0.300415 N\n0.968458 0.699365 0.406357 N\n",
"nsites": 14,
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],
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"formula_full": "Cd1 Hg1 Se4 C4 N4",
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{
"id": "jvasp-87078",
"created_at": "2022-09-04T14:35:48.615652Z",
"updated_at": "2022-09-04T14:35:48.615668Z",
"structure_string": "Te8 Mo6\n1.0\n7.153203 -0.012018 -0.317927\n-0.331837 7.145512 -0.317927\n-0.011492 -0.012018 7.160256\nTe Mo\n8 6\ndirect\n0.290468 0.290467 0.290468 Te\n0.709532 0.709532 0.709532 Te\n0.878930 0.617175 0.241457 Te\n0.241457 0.878930 0.617176 Te\n0.617176 0.241457 0.878931 Te\n0.121069 0.382824 0.758543 Te\n0.758542 0.121069 0.382824 Te\n0.382824 0.758542 0.121069 Te\n0.955493 0.253840 0.081033 Mo\n0.081033 0.955494 0.253840 Mo\n0.253841 0.081033 0.955494 Mo\n0.044506 0.746159 0.918967 Mo\n0.918967 0.044506 0.746159 Mo\n0.746159 0.918966 0.044505 Mo\n",
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{
"id": "jvasp-85815",
"created_at": "2022-09-04T14:35:56.048692Z",
"updated_at": "2022-09-04T14:35:56.048712Z",
"structure_string": "Fe6 O8\n1.0\n1.249173 3.331479 3.494752\n-4.674650 0.227976 3.411152\n3.817424 -4.287668 0.765956\nFe O\n6 8\ndirect\n0.325688 0.604193 0.717549 Fe\n0.325699 0.104178 0.217556 Fe\n0.827657 0.355171 0.966565 Fe\n0.827653 0.855173 0.466556 Fe\n0.316451 0.609479 0.211656 Fe\n0.316452 0.109482 0.711660 Fe\n0.104526 0.965473 0.355718 O\n0.567228 0.227433 0.594130 O\n0.567233 0.727422 0.094121 O\n0.104532 0.465474 0.855719 O\n0.527459 0.753951 0.567116 O\n0.527457 0.253949 0.067117 O\n0.080981 0.984314 0.837266 O\n0.080982 0.484312 0.337266 O\n",
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{
"id": "jvasp-53967",
"created_at": "2022-09-04T14:35:56.497299Z",
"updated_at": "2022-09-04T14:35:56.497329Z",
"structure_string": "Rb4 H8 Pd2\n1.0\n5.844560 -0.000000 0.000000\n-0.000000 5.844560 0.000000\n0.000000 0.000000 8.491059\nRb H Pd\n4 8 2\ndirect\n0.000000 0.500000 0.250000 Rb\n0.500000 0.000000 0.750000 Rb\n0.000000 0.500000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.500000 0.500000 0.303661 H\n0.000000 0.000000 0.803661 H\n0.500000 0.500000 0.696339 H\n0.000000 0.000000 0.196339 H\n0.298079 0.701921 0.500000 H\n0.701921 0.298079 0.500000 H\n0.201921 0.201921 0.000000 H\n0.798080 0.798080 0.000000 H\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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],
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{
"id": "jvasp-48957",
"created_at": "2022-09-04T14:35:49.663619Z",
"updated_at": "2022-09-04T14:35:49.663646Z",
"structure_string": "Li7 V1 O4 F2\n1.0\n5.367663 0.027755 -0.015241\n2.618456 4.780062 -0.014155\n2.495210 1.597403 4.933750\nLi V O F\n7 1 4 2\ndirect\n0.470376 0.894896 0.389391 Li\n0.754351 0.481567 0.662919 Li\n0.076703 0.759857 0.652792 Li\n0.374457 0.300523 0.007691 Li\n0.871741 0.222287 0.373290 Li\n0.505908 0.627303 0.102734 Li\n0.459125 0.107142 0.652168 Li\n0.972778 0.983748 0.027606 V\n0.361597 0.748314 0.791037 O\n0.201865 0.925276 0.253189 O\n0.753799 0.094296 0.765459 O\n0.602920 0.207626 0.252793 O\n0.846624 0.607906 0.274360 F\n0.074160 0.378264 0.786556 F\n",
"nsites": 14,
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],
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"density": 2.646000750651326,
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"formula_full": "Li7 V1 O4 F2",
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},
{
"id": "jvasp-48338",
"created_at": "2022-09-04T14:35:56.026218Z",
"updated_at": "2022-09-04T14:35:56.026251Z",
"structure_string": "Li2 Mn4 O5 F3\n1.0\n-4.364848 4.149258 0.048443\n4.364848 0.048443 4.149258\n4.380386 4.162279 0.035423\nLi Mn O F\n2 4 5 3\ndirect\n0.617803 0.250242 0.620839 Li\n0.128917 0.761358 0.620838 Li\n0.609868 0.250941 0.139191 Mn\n0.018360 0.000196 0.981444 Mn\n0.241636 0.482222 0.276142 Mn\n0.625303 0.751955 0.622741 Mn\n0.836996 0.216505 0.381540 O\n0.400075 0.248670 0.351257 O\n0.847238 0.716407 0.866091 O\n0.417502 0.286671 0.866091 O\n0.401956 0.781465 0.381540 O\n0.880991 0.723206 0.395802 F\n0.855273 0.255811 0.888915 F\n0.368074 0.774346 0.857579 F\n",
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}
]
}