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{
"id": "jvasp-49603",
"created_at": "2022-09-04T14:37:28.173052Z",
"updated_at": "2022-09-04T14:37:28.173080Z",
"structure_string": "Mg4 Sb4 O12\n1.0\n0.000000 5.531004 0.003146\n7.923919 0.000000 0.000000\n0.000000 -0.178371 -5.545478\nMg Sb O\n4 4 12\ndirect\n0.511293 0.250000 0.532725 Mg\n0.488706 0.750000 0.467274 Mg\n0.977841 0.250000 0.025066 Mg\n0.022158 0.750000 0.974933 Mg\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.311289 0.429133 0.353714 O\n0.639811 0.250000 0.880781 O\n0.688711 0.929134 0.646286 O\n0.139010 0.750000 0.600657 O\n0.136401 0.069135 0.819576 O\n0.863599 0.930865 0.180424 O\n0.136401 0.430865 0.819576 O\n0.311289 0.070867 0.353714 O\n0.860990 0.250000 0.399342 O\n0.688711 0.570867 0.646286 O\n0.863599 0.569135 0.180424 O\n0.360189 0.750000 0.119219 O\n",
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{
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"updated_at": "2022-09-04T14:37:15.191621Z",
"structure_string": "Tm4 Ga4 O12\n1.0\n5.220241 0.000000 0.000000\n0.000000 5.558169 0.000000\n0.000000 0.000000 7.549633\nTm Ga O\n4 4 12\ndirect\n0.021245 0.072614 0.990932 Tm\n0.478755 0.572614 0.990932 Tm\n0.521245 0.427386 0.490932 Tm\n0.978755 0.927386 0.490932 Tm\n0.000000 0.499994 0.240929 Ga\n0.500000 0.999994 0.240929 Ga\n0.500000 0.000006 0.740929 Ga\n-0.000000 0.500006 0.740929 Ga\n0.809970 0.193058 0.301091 O\n0.690030 0.693058 0.301091 O\n0.690040 0.693082 0.680753 O\n0.619256 0.956824 0.990925 O\n0.380744 0.043176 0.490926 O\n0.190040 0.806918 0.180753 O\n0.309970 0.306942 0.801091 O\n0.190030 0.806942 0.801091 O\n0.809960 0.193082 0.680753 O\n0.119256 0.543176 0.490926 O\n0.309960 0.306918 0.180753 O\n0.880744 0.456824 0.990925 O\n",
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"formula_full": "Tm4 Ga4 O12",
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{
"id": "jvasp-20780",
"created_at": "2022-09-04T14:37:07.505212Z",
"updated_at": "2022-09-04T14:37:07.505246Z",
"structure_string": "Rb8 O12\n1.0\n7.523704 0.000000 -2.660031\n-3.761852 6.515718 -2.660031\n-0.000000 -0.000000 7.980093\nRb O\n8 12\ndirect\n0.607472 0.607472 0.607472 Rb\n0.500000 0.000000 0.392528 Rb\n0.000000 0.392528 0.500000 Rb\n0.500000 0.000000 0.892527 Rb\n0.000000 0.892528 0.500000 Rb\n0.892528 0.500000 0.000000 Rb\n0.107472 0.107472 0.107472 Rb\n0.392528 0.500000 0.000000 Rb\n0.750000 0.798628 0.048628 O\n0.750000 0.951373 0.201372 O\n0.250000 0.548628 0.298628 O\n0.201373 0.750000 0.951372 O\n0.951372 0.201372 0.750000 O\n0.250000 0.701373 0.451372 O\n0.701372 0.451372 0.250000 O\n0.798627 0.048628 0.750000 O\n0.048628 0.750000 0.798628 O\n0.451372 0.250000 0.701372 O\n0.548628 0.298628 0.250000 O\n0.298628 0.250000 0.548628 O\n",
"nsites": 20,
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"formula_full": "Rb8 O12",
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"spacegroup": 220
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{
"id": "jvasp-1100",
"created_at": "2022-09-04T14:37:14.535414Z",
"updated_at": "2022-09-04T14:37:14.535434Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
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},
{
"id": "jvasp-50996",
"created_at": "2022-09-04T14:37:14.020213Z",
"updated_at": "2022-09-04T14:37:14.020245Z",
"structure_string": "Nb4 H4 O12\n1.0\n6.702691 0.016072 -0.023783\n-2.192110 6.332626 0.030265\n-2.240159 -3.151836 5.421766\nNb H O\n4 4 12\ndirect\n0.023117 0.986642 0.473592 Nb\n0.494732 0.968262 0.981084 Nb\n0.556035 0.531457 0.512921 Nb\n0.992435 0.462911 0.977388 Nb\n0.839345 0.282633 0.458413 H\n0.208363 0.649399 0.457657 H\n0.476411 0.318629 0.772817 H\n0.247777 0.199161 0.043286 H\n0.613872 0.794408 0.803960 O\n0.393725 0.218715 0.177414 O\n0.702816 0.288760 0.970183 O\n0.315335 0.728292 0.023105 O\n0.351813 0.295527 0.617731 O\n0.224078 0.894199 0.680546 O\n0.222039 0.531531 0.330527 O\n0.813464 0.474002 0.670065 O\n0.004367 0.796397 0.189949 O\n0.821792 0.137055 0.327773 O\n0.723866 0.732943 0.418332 O\n0.045231 0.213500 0.820692 O\n",
"nsites": 20,
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"formula_anonymous": "ABC3",
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"spacegroup": 1
},
{
"id": "jvasp-44630",
"created_at": "2022-09-04T14:37:29.005441Z",
"updated_at": "2022-09-04T14:37:29.005468Z",
"structure_string": "Li4 Mn1 V2 W1 O12\n1.0\n5.003295 0.005577 0.000615\n-0.003991 5.316627 -0.023144\n-0.008746 -0.591833 7.259160\nLi Mn V W O\n4 1 2 1 12\ndirect\n0.001898 0.425291 0.312996 Li\n0.493004 0.904029 0.773533 Li\n0.012392 0.430810 0.762118 Li\n0.493397 0.928473 0.310585 Li\n0.499217 0.486028 0.507784 Mn\n-0.001340 0.986211 0.514410 V\n0.497733 0.464202 0.005524 V\n0.003208 0.977798 0.008405 W\n0.681775 0.196716 0.925759 O\n0.809464 0.327698 0.543108 O\n0.183514 0.333143 0.051607 O\n0.617432 0.514612 0.229930 O\n0.386693 0.531087 0.746145 O\n0.120592 0.030214 0.746126 O\n0.193426 0.725202 0.433898 O\n0.323719 0.834622 0.054476 O\n0.868783 0.018242 0.240698 O\n0.296483 0.218448 0.431310 O\n0.820617 0.695942 0.924117 O\n0.697992 0.828851 0.548681 O\n",
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"elements": [
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],
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"density_atomic": 0.10361080601874965,
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"formula_full": "Li4 Mn1 V2 W1 O12",
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},
{
"id": "jvasp-59788",
"created_at": "2022-09-04T14:37:28.968398Z",
"updated_at": "2022-09-04T14:37:28.968426Z",
"structure_string": "Nd1 Cu3 Ru4 O12\n1.0\n6.121678 -0.000000 -2.164340\n-3.060839 5.301528 -2.164340\n-0.000000 -0.000000 6.493020\nNd Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.171881 0.867681 0.695801 O\n0.132319 0.304199 0.828119 O\n0.695801 0.171881 0.867681 O\n0.523920 0.695801 0.828119 O\n0.828119 0.132319 0.304199 O\n0.867681 0.695801 0.171881 O\n0.476081 0.304199 0.171881 O\n0.171881 0.476081 0.304199 O\n0.695801 0.828119 0.523919 O\n0.304199 0.828119 0.132319 O\n0.304199 0.171881 0.476081 O\n0.828119 0.523920 0.695801 O\n",
"nsites": 20,
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"density": 7.337561746905203,
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"volume": 210.72607695957458,
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"formula_full": "Nd1 Cu3 Ru4 O12",
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},
{
"id": "jvasp-49606",
"created_at": "2022-09-04T14:37:27.837916Z",
"updated_at": "2022-09-04T14:37:27.837941Z",
"structure_string": "V2 Zn4 Sb2 O12\n1.0\n0.000000 5.251348 -0.010929\n7.720697 0.000000 0.000000\n0.000000 -0.077599 -5.284196\nV Zn Sb O\n2 4 2 12\ndirect\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.489434 0.750000 0.450070 Zn\n0.510566 0.250000 0.549931 Zn\n0.975391 0.750000 0.982794 Zn\n0.024609 0.250000 0.017207 Zn\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.327298 0.566321 0.676640 O\n0.607378 0.750000 0.075599 O\n0.672702 0.066320 0.323361 O\n0.129491 0.250000 0.418756 O\n0.170828 0.932350 0.178370 O\n0.829172 0.067651 0.821631 O\n0.170828 0.567651 0.178370 O\n0.327298 0.933680 0.676640 O\n0.870509 0.750000 0.581245 O\n0.672702 0.433680 0.323361 O\n0.829172 0.432350 0.821631 O\n0.392622 0.250000 0.924402 O\n",
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"formula_full": "V2 Zn4 Sb2 O12",
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{
"id": "jvasp-55532",
"created_at": "2022-09-04T14:37:13.384968Z",
"updated_at": "2022-09-04T14:37:13.384982Z",
"structure_string": "Pb4 S4 O12\n1.0\n5.528873 0.000000 0.000000\n-0.000000 6.832260 0.000000\n0.000000 0.000000 7.908667\nPb S O\n4 4 12\ndirect\n0.250000 0.366259 0.685754 Pb\n0.750000 0.633741 0.314247 Pb\n0.750000 0.866259 0.814247 Pb\n0.250000 0.133741 0.185753 Pb\n0.750000 0.351977 0.966391 S\n0.250000 0.648023 0.033609 S\n0.250000 0.851977 0.533610 S\n0.750000 0.148023 0.466391 S\n0.250000 0.984375 0.689519 O\n0.750000 0.015625 0.310482 O\n0.529991 0.284879 0.438785 O\n0.029992 0.715121 0.561215 O\n0.470008 0.784879 0.061215 O\n0.529991 0.215121 0.938786 O\n0.470008 0.715121 0.561215 O\n0.970008 0.284879 0.438785 O\n0.250000 0.515625 0.189519 O\n0.029992 0.784879 0.061215 O\n0.970008 0.215121 0.938786 O\n0.750000 0.484375 0.810482 O\n",
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},
{
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"created_at": "2022-09-04T14:37:07.333056Z",
"updated_at": "2022-09-04T14:37:07.333083Z",
"structure_string": "As8 O12\n1.0\n0.000000 4.545976 -0.014216\n12.898827 0.000000 0.000000\n0.000000 -4.103400 -5.372803\nAs O\n8 12\ndirect\n0.639569 0.851797 0.139525 As\n0.360433 0.351797 0.360475 As\n0.360432 0.148203 0.860475 As\n0.639569 0.648204 0.639525 As\n0.773425 0.596584 0.232434 As\n0.226577 0.096584 0.267567 As\n0.226577 0.403416 0.767566 As\n0.773424 0.903416 0.732434 As\n0.375115 0.284081 0.944985 O\n0.624886 0.784081 0.555015 O\n0.479714 0.597698 0.332720 O\n0.520287 0.097698 0.167281 O\n0.520287 0.402302 0.667280 O\n0.832763 0.138881 0.957254 O\n0.167238 0.861119 0.042746 O\n0.832763 0.361119 0.457255 O\n0.375115 0.215919 0.444985 O\n0.167238 0.638881 0.542746 O\n0.479714 0.902302 0.832720 O\n0.624886 0.715920 0.055015 O\n",
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"spacegroup": 14
},
{
"id": "jvasp-49667",
"created_at": "2022-09-04T14:37:13.501053Z",
"updated_at": "2022-09-04T14:37:13.501085Z",
"structure_string": "Mg4 Ti2 Sb2 O12\n1.0\n0.000000 5.240597 -0.004917\n7.744675 0.000000 0.000000\n0.000000 -0.128570 -5.392259\nMg Ti Sb O\n4 2 2 12\ndirect\n0.491179 0.750000 0.440024 Mg\n0.508821 0.250000 0.559976 Mg\n0.993788 0.750000 0.962771 Mg\n0.006212 0.250000 0.037230 Mg\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.339845 0.570407 0.683484 O\n0.628650 0.750000 0.075342 O\n0.660156 0.070407 0.316517 O\n0.134238 0.250000 0.418033 O\n0.185017 0.928696 0.172060 O\n0.814984 0.071303 0.827941 O\n0.185017 0.571303 0.172060 O\n0.339845 0.929592 0.683484 O\n0.865762 0.750000 0.581967 O\n0.660156 0.429592 0.316517 O\n0.814984 0.428697 0.827941 O\n0.371350 0.250000 0.924659 O\n",
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"formula_full": "Mg4 Ti2 Sb2 O12",
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},
{
"id": "jvasp-54727",
"created_at": "2022-09-04T14:37:06.154315Z",
"updated_at": "2022-09-04T14:37:06.154345Z",
"structure_string": "Mo2 H8 O10\n1.0\n-4.000005 -0.192870 -0.075362\n-0.325958 -6.743711 -0.742124\n0.190750 1.089654 7.868225\nMo H O\n2 8 10\ndirect\n0.997720 0.006394 0.238727 Mo\n0.946358 0.013554 0.737531 Mo\n0.175729 0.365318 0.847041 H\n0.741380 0.361930 0.352157 H\n0.137494 0.627223 0.102437 H\n0.890057 0.643178 0.588697 H\n0.716763 0.415531 0.638956 H\n0.545656 0.381653 0.093833 H\n0.613282 0.577553 0.037563 H\n0.411832 0.575300 0.584910 H\n0.002947 0.298198 0.762825 O\n0.001938 0.012388 0.954920 O\n0.958852 0.029303 0.459677 O\n0.441212 0.476771 0.024063 O\n0.628384 0.488726 0.549081 O\n0.429144 0.994720 0.221521 O\n0.514095 0.010060 0.710157 O\n0.929658 0.728405 0.134962 O\n0.836019 0.282562 0.237063 O\n0.082991 0.734705 0.632012 O\n",
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"spacegroup": 1
}
]
}