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{
"id": "jvasp-51403",
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"structure_string": "Na4 H4 C4 N8\n1.0\n3.450025 0.000000 0.000000\n0.000000 6.408541 0.000000\n0.000000 0.000000 10.478696\nNa H C N\n4 4 4 8\ndirect\n0.766923 0.500000 0.250000 Na\n0.233076 0.000000 0.750000 Na\n0.233076 0.500000 0.750000 Na\n0.766923 0.000000 0.250000 Na\n0.820180 0.250000 0.911148 H\n0.179819 0.750000 0.088852 H\n0.820180 0.750000 0.588852 H\n0.179819 0.250000 0.411148 H\n0.805659 0.250000 0.548270 C\n0.194339 0.750000 0.451730 C\n0.805659 0.750000 0.951730 C\n0.194339 0.250000 0.048270 C\n0.295963 0.250000 0.157715 N\n0.704035 0.750000 0.842286 N\n0.295963 0.750000 0.342285 N\n0.704035 0.250000 0.657715 N\n0.113170 0.250000 0.929550 N\n0.886829 0.750000 0.070450 N\n0.113170 0.750000 0.570451 N\n0.886829 0.250000 0.429550 N\n",
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{
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"structure_string": "Mg4 V2 Bi2 O12\n1.0\n5.497783 -0.000000 -0.000000\n-0.000000 6.697579 -3.028040\n0.000000 -0.009086 7.350273\nMg V Bi O\n4 2 2 12\ndirect\n0.750000 0.104102 0.279705 Mg\n0.249999 0.895897 0.720295 Mg\n0.750000 0.720294 0.895896 Mg\n0.249999 0.279704 0.104102 Mg\n0.750000 0.197440 0.802560 V\n0.249999 0.802560 0.197440 V\n0.249999 0.405812 0.594188 Bi\n0.750000 0.594188 0.405812 Bi\n0.000000 0.670770 0.670770 O\n0.500000 0.329229 0.329229 O\n0.509421 0.884582 0.115419 O\n0.009423 0.115419 0.884581 O\n0.490577 0.115419 0.884581 O\n0.249999 0.900453 0.452044 O\n0.750000 0.452043 0.900452 O\n0.249999 0.547955 0.099546 O\n0.000000 0.329229 0.329229 O\n0.750000 0.099548 0.547956 O\n0.990578 0.884582 0.115419 O\n0.500000 0.670770 0.670770 O\n",
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{
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"updated_at": "2022-09-04T14:37:05.764889Z",
"structure_string": "Mn12 Ge4 Ir4\n1.0\n6.575578 -0.000000 0.000000\n0.000000 6.575578 0.000000\n-0.000000 -0.000000 6.575578\nMn Ge Ir\n12 4 4\ndirect\n0.121743 0.205650 0.452811 Mn\n0.378258 0.794351 0.952811 Mn\n0.878258 0.705650 0.047189 Mn\n0.705650 0.047189 0.878258 Mn\n0.547189 0.621743 0.294350 Mn\n0.047189 0.878258 0.705650 Mn\n0.621743 0.294350 0.547189 Mn\n0.952811 0.378258 0.794351 Mn\n0.294350 0.547189 0.621743 Mn\n0.205650 0.452811 0.121743 Mn\n0.452811 0.121743 0.205650 Mn\n0.794351 0.952811 0.378258 Mn\n0.941288 0.558713 0.441287 Ge\n0.558713 0.441287 0.941288 Ge\n0.441287 0.941288 0.558713 Ge\n0.058713 0.058713 0.058713 Ge\n0.809393 0.309393 0.190607 Ir\n0.309393 0.190607 0.809393 Ir\n0.190607 0.809393 0.309393 Ir\n0.690607 0.690607 0.690607 Ir\n",
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{
"id": "jvasp-58326",
"created_at": "2022-09-04T14:37:33.588043Z",
"updated_at": "2022-09-04T14:37:33.588059Z",
"structure_string": "Li2 Al2 Si4 O12\n1.0\n5.086563 0.016106 1.369840\n1.507454 6.155196 0.793730\n0.020708 0.017262 6.386559\nLi Al Si O\n2 2 4 12\ndirect\n0.750000 0.271476 0.728524 Li\n0.249999 0.728525 0.271476 Li\n0.250000 0.092405 0.907595 Al\n0.749999 0.907596 0.092405 Al\n0.260054 0.612237 0.800306 Si\n0.239946 0.199695 0.387763 Si\n0.739945 0.387764 0.199694 Si\n0.760053 0.800306 0.612237 Si\n0.857428 0.192607 0.025481 O\n0.142571 0.807394 0.974519 O\n0.357429 0.025481 0.192607 O\n0.798990 0.903088 0.366707 O\n0.701008 0.633294 0.096913 O\n0.298991 0.366707 0.903087 O\n0.567953 0.625552 0.662939 O\n0.067953 0.662939 0.625552 O\n0.432046 0.374449 0.337062 O\n0.932046 0.337062 0.374449 O\n0.201009 0.096913 0.633293 O\n0.642570 0.974520 0.807394 O\n",
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{
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"created_at": "2022-09-04T14:37:27.185951Z",
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"structure_string": "Sm4 Rh4 O12\n1.0\n5.315270 -0.000000 0.000000\n0.000000 5.864323 0.000000\n0.000000 0.000000 7.726622\nSm Rh O\n4 4 12\ndirect\n0.471370 0.581882 0.750000 Sm\n0.971370 0.918117 0.250000 Sm\n0.028630 0.081882 0.750000 Sm\n0.528630 0.418118 0.250000 Sm\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.878865 0.458165 0.750000 O\n0.378865 0.041835 0.250000 O\n0.820814 0.193184 0.056172 O\n0.320814 0.306816 0.943828 O\n0.679186 0.693184 0.443828 O\n0.320814 0.306816 0.556172 O\n0.179186 0.806816 0.943828 O\n0.679186 0.693184 0.056172 O\n0.121135 0.541834 0.250000 O\n0.820814 0.193184 0.443828 O\n0.179186 0.806816 0.556172 O\n0.621135 0.958165 0.750000 O\n",
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},
{
"id": "jvasp-51727",
"created_at": "2022-09-04T14:37:27.130181Z",
"updated_at": "2022-09-04T14:37:27.130212Z",
"structure_string": "Li8 H4 I4 O4\n1.0\n5.527022 -0.000000 0.000000\n0.000000 6.646584 0.000000\n0.000000 0.000000 10.182637\nLi H I O\n8 4 4 4\ndirect\n0.000453 0.562271 0.889543 Li\n0.499546 0.937728 0.389543 Li\n0.500453 0.437729 0.110457 Li\n-0.000453 0.062271 0.610457 Li\n-0.000453 0.437729 0.110457 Li\n0.500453 0.062271 0.610457 Li\n0.499546 0.562271 0.889543 Li\n0.000453 0.937728 0.389543 Li\n0.750000 0.275176 0.946902 H\n0.750000 0.224824 0.446902 H\n0.250000 0.724824 0.053098 H\n0.250000 0.775176 0.553098 H\n0.250000 0.417441 0.671421 I\n0.250000 0.082559 0.171421 I\n0.750000 0.582559 0.328579 I\n0.750000 0.917440 0.828579 I\n0.250000 0.914678 0.521137 O\n0.250000 0.585322 0.021137 O\n0.750000 0.085322 0.478863 O\n0.750000 0.414678 0.978864 O\n",
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{
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"created_at": "2022-09-04T14:37:09.620766Z",
"updated_at": "2022-09-04T14:37:09.620788Z",
"structure_string": "Sr4 U2 Zn2 O12\n1.0\n0.000000 5.830512 -0.014398\n5.885297 0.000000 0.000000\n0.000000 -5.809668 -8.216873\nSr U Zn O\n4 2 2 12\ndirect\n0.259921 0.038040 0.251649 Sr\n0.740079 0.538040 0.248351 Sr\n0.740079 0.961961 0.748351 Sr\n0.259920 0.461961 0.751649 Sr\n0.000000 0.500000 0.000000 U\n-0.000000 0.000000 0.500000 U\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.831355 0.978846 0.252300 O\n0.674021 0.792958 0.460402 O\n0.750812 0.284835 0.457168 O\n0.168644 0.021154 0.747700 O\n0.168644 0.478846 0.247700 O\n0.249188 0.784835 0.042832 O\n0.750811 0.215165 0.957168 O\n0.325979 0.292957 0.039598 O\n0.249188 0.715166 0.542832 O\n0.831355 0.521154 0.752299 O\n0.674021 0.707043 0.960402 O\n0.325978 0.207043 0.539598 O\n",
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"formula_full": "Sr4 U2 Zn2 O12",
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{
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"created_at": "2022-09-04T14:37:27.446352Z",
"updated_at": "2022-09-04T14:37:27.446376Z",
"structure_string": "Na6 Y2 Cl12\n1.0\n0.000000 6.753916 -0.026948\n7.261379 0.000000 0.000000\n0.000000 -6.596454 -10.071436\nNa Y Cl\n6 2 12\ndirect\n0.500001 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.289839 0.913732 0.257472 Na\n0.710162 0.413732 0.242529 Na\n0.710162 0.086268 0.742529 Na\n0.289840 0.586268 0.757472 Na\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.094919 0.563039 0.241706 Cl\n0.905083 0.063039 0.258294 Cl\n0.612094 0.179719 0.431183 Cl\n0.387908 0.679720 0.068818 Cl\n0.387908 0.820281 0.568818 Cl\n0.247529 0.308313 0.579282 Cl\n0.752473 0.691688 0.420719 Cl\n0.752473 0.808313 0.920719 Cl\n0.247528 0.191688 0.079282 Cl\n0.094919 0.936962 0.741706 Cl\n0.612094 0.320281 0.931183 Cl\n0.905083 0.436961 0.758295 Cl\n",
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{
"id": "jvasp-49731",
"created_at": "2022-09-04T14:37:19.642306Z",
"updated_at": "2022-09-04T14:37:19.642329Z",
"structure_string": "Mg4 Bi2 P2 O12\n1.0\n5.325204 -0.000000 -0.000000\n0.000000 6.565616 -2.858914\n-0.000000 -0.009563 7.161047\nMg Bi P O\n4 2 2 12\ndirect\n0.250000 0.900613 0.708842 Mg\n0.250000 0.291160 0.099388 Mg\n0.749999 0.099388 0.291160 Mg\n0.749999 0.708841 0.900613 Mg\n0.749999 0.599007 0.400994 Bi\n0.250000 0.400994 0.599007 Bi\n0.250000 0.802274 0.197727 P\n0.749999 0.197727 0.802274 P\n0.749999 0.431553 0.893779 O\n0.007539 0.876350 0.123653 O\n0.500000 0.673109 0.673109 O\n0.000000 0.673109 0.673109 O\n0.250000 0.568448 0.106222 O\n0.507539 0.123652 0.876350 O\n0.749999 0.106222 0.568448 O\n0.250000 0.893779 0.431553 O\n0.992460 0.123652 0.876350 O\n0.000000 0.326892 0.326892 O\n0.500000 0.326892 0.326892 O\n0.492461 0.876350 0.123653 O\n",
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{
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"created_at": "2022-09-04T14:37:06.008445Z",
"updated_at": "2022-09-04T14:37:06.008471Z",
"structure_string": "Zn2 Si4 Sn2 O12\n1.0\n5.336013 0.162113 1.274346\n1.500823 7.085619 0.766569\n0.157827 0.080981 7.281115\nZn Si Sn O\n2 4 2 12\ndirect\n0.750000 0.299147 0.700854 Zn\n0.250001 0.700853 0.299149 Zn\n0.219849 0.171027 0.360228 Si\n0.280150 0.639772 0.828974 Si\n0.719848 0.360227 0.171028 Si\n0.780151 0.828973 0.639773 Si\n0.249999 0.154927 0.845075 Sn\n0.749998 0.845075 0.154927 Sn\n0.667791 0.056900 0.656961 O\n0.832209 0.343038 0.943101 O\n0.617840 0.580286 0.237391 O\n0.882158 0.762611 0.419715 O\n0.382158 0.419713 0.762611 O\n0.037318 0.751017 0.731125 O\n0.962680 0.248983 0.268877 O\n0.537319 0.731124 0.751019 O\n0.332207 0.943100 0.343040 O\n0.462682 0.268877 0.248983 O\n0.117842 0.237389 0.580286 O\n0.167792 0.656961 0.056901 O\n",
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"volume": 271.9379783541879,
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:37:09.387527Z",
"updated_at": "2022-09-04T14:37:09.387547Z",
"structure_string": "K8 U2 O10\n1.0\n6.447357 -0.014223 -0.018436\n-1.375172 6.335028 0.001489\n-3.139678 -2.681313 8.820931\nK U O\n8 2 10\ndirect\n0.576256 0.790113 0.096529 K\n0.198258 0.581358 0.696851 K\n0.597504 0.294496 0.597093 K\n0.402496 0.705505 0.402906 K\n0.423744 0.209888 0.903470 K\n-0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.801742 0.418643 0.303148 K\n0.808048 0.898153 0.803309 U\n0.191953 0.101848 0.196690 U\n0.491534 0.936701 0.692057 O\n0.359309 0.378135 0.158323 O\n0.640692 0.621865 0.841676 O\n0.179448 0.298339 0.390442 O\n0.820552 0.701662 0.609558 O\n0.971135 0.174585 0.763141 O\n0.028865 0.825416 0.236859 O\n0.852690 0.104657 0.035081 O\n0.147310 0.895344 0.964918 O\n0.508466 0.063300 0.307942 O\n",
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},
{
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"created_at": "2022-09-04T14:37:28.052751Z",
"updated_at": "2022-09-04T14:37:28.052778Z",
"structure_string": "Ga2 H10 N4 F4\n1.0\n-0.000000 5.909071 0.000000\n-5.422027 2.954535 -0.165196\n0.140043 0.000000 4.962544\nGa H N F\n2 10 4 4\ndirect\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.888656 0.222687 0.570030 H\n0.952037 0.390014 0.795043 H\n0.365325 0.269349 0.923232 H\n0.270883 0.458235 0.656164 H\n0.657950 0.390014 0.795043 H\n0.634675 0.730652 0.076766 H\n0.342050 0.609987 0.204956 H\n0.047964 0.609987 0.204956 H\n0.111344 0.777314 0.429969 H\n0.729117 0.541766 0.343835 H\n0.642025 0.715952 0.280066 N\n0.144560 0.710880 0.231360 N\n0.855440 0.289121 0.768638 N\n0.357975 0.284049 0.719932 N\n0.157906 0.157442 0.241453 F\n0.315348 0.842559 0.758545 F\n0.842094 0.842559 0.758545 F\n0.684652 0.157442 0.241453 F\n",
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],
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}
]
}