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{
"id": "jvasp-11614",
"created_at": "2022-09-04T14:37:18.050795Z",
"updated_at": "2022-09-04T14:37:18.050823Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n5.398183 -0.028086 0.016817\n-0.027209 5.392722 -0.048774\n-2.666197 -2.726693 4.782102\nTi Zn Bi O\n1 1 2 6\ndirect\n0.215672 0.188729 0.400315 Ti\n0.714899 0.727890 0.444781 Zn\n-0.013138 0.459768 -0.008003 Bi\n0.529500 0.994577 0.994159 Bi\n0.869004 0.969390 0.843499 O\n0.419915 0.372190 0.775068 O\n0.380689 0.888782 0.268720 O\n0.381400 0.388631 0.276554 O\n0.900253 0.400414 0.300281 O\n0.890791 0.898713 0.282710 O\n",
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{
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"structure_string": "Rb2 Y1 Cu1 Cl6\n1.0\n6.291040 -0.000000 3.632134\n2.097013 5.931249 3.632134\n-0.000000 -0.000000 7.264267\nRb Y Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.754707 0.245293 0.245292 Cl\n0.245292 0.245293 0.754708 Cl\n0.245292 0.754708 0.754707 Cl\n0.245292 0.754708 0.245292 Cl\n0.754707 0.245293 0.754707 Cl\n0.754707 0.754708 0.245292 Cl\n",
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{
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"created_at": "2022-09-04T14:37:09.826608Z",
"updated_at": "2022-09-04T14:37:09.826638Z",
"structure_string": "Mg2 Cu2 Si4 O12\n1.0\n4.892551 -0.062736 0.941303\n1.117739 6.475143 0.445829\n-0.147416 -0.123985 6.583770\nMg Cu Si O\n2 2 4 12\ndirect\n0.750001 0.267663 0.732354 Mg\n0.249999 0.732337 0.267647 Mg\n0.249996 0.099117 0.900876 Cu\n0.750001 0.900885 0.099124 Cu\n0.296873 0.208788 0.387968 Si\n0.203115 0.612037 0.791207 Si\n0.796883 0.387963 0.208793 Si\n0.703126 0.791212 0.612032 Si\n0.630516 0.976556 0.781863 O\n0.869474 0.218120 0.023457 O\n0.631535 0.606809 0.149579 O\n0.868487 0.850409 0.393202 O\n0.368464 0.393189 0.850421 O\n-0.092725 0.590569 0.708169 O\n0.092723 0.409431 0.291832 O\n0.407282 0.708158 0.590576 O\n0.369482 0.023443 0.218137 O\n0.592718 0.291843 0.409424 O\n0.131513 0.149590 0.606798 O\n0.130527 0.781880 0.976543 O\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-100590",
"created_at": "2022-09-04T14:37:09.798306Z",
"updated_at": "2022-09-04T14:37:09.798337Z",
"structure_string": "K1 Rb2 As1 F6\n1.0\n5.585814 -0.000000 3.224971\n1.861938 5.266356 3.224971\n-0.000000 0.000000 6.449942\nK Rb As F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.773401 0.226599 0.226599 F\n0.226599 0.226599 0.773401 F\n0.226599 0.773402 0.773401 F\n0.226599 0.773402 0.226598 F\n0.773401 0.226599 0.773401 F\n0.773401 0.773402 0.226598 F\n",
"nsites": 10,
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{
"id": "jvasp-21351",
"created_at": "2022-09-04T14:37:09.946127Z",
"updated_at": "2022-09-04T14:37:09.946149Z",
"structure_string": "Mn2 Zn2 Si4 O12\n1.0\n5.239972 0.149838 1.241348\n1.512562 6.649679 0.467137\n0.200862 -0.191731 6.829875\nMn Zn Si O\n2 2 4 12\ndirect\n0.250000 0.106587 0.893408 Mn\n0.749999 0.893410 0.106586 Mn\n0.749995 0.235550 0.764449 Zn\n0.249996 0.764449 0.235551 Zn\n0.223683 0.221428 0.387519 Si\n0.276317 0.612481 0.778575 Si\n0.723683 0.387519 0.221428 Si\n0.776318 0.778575 0.612481 Si\n0.657360 0.959895 0.787653 O\n0.842639 0.212350 0.040102 O\n0.618750 0.617215 0.146303 O\n0.881242 0.853706 0.382788 O\n0.381242 0.382787 0.853704 O\n0.033403 0.617588 0.670567 O\n0.966602 0.382418 0.329428 O\n0.533404 0.670567 0.617589 O\n0.342638 0.040102 0.212350 O\n0.466603 0.329428 0.382417 O\n0.118751 0.146302 0.617214 O\n0.157361 0.787654 0.959894 O\n",
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{
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"created_at": "2022-09-04T14:37:09.782195Z",
"updated_at": "2022-09-04T14:37:09.782220Z",
"structure_string": "Li2 Nd2 Ti4 O12\n1.0\n5.375046 0.000000 -0.000000\n0.000000 5.375046 0.000000\n0.000000 0.000000 7.913118\nLi Nd Ti O\n2 2 4 12\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.000000 0.235916 Ti\n0.000000 0.000000 0.764085 Ti\n0.500000 0.500000 0.235916 Ti\n0.500000 0.500000 0.764085 Ti\n0.694037 0.194036 0.258296 O\n0.694037 0.805964 0.741704 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.305964 0.194036 0.741704 O\n0.000000 0.000000 0.500000 O\n0.194036 0.305964 0.258296 O\n0.194036 0.694037 0.741704 O\n0.805964 0.694037 0.258296 O\n0.000000 0.000000 0.000000 O\n0.305964 0.805964 0.258296 O\n0.805964 0.305964 0.741704 O\n",
"nsites": 20,
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"density": 4.981401381522659,
"density_atomic": 0.08748185492883866,
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"formula_full": "Li2 Nd2 Ti4 O12",
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{
"id": "jvasp-104810",
"created_at": "2022-09-04T14:36:55.739474Z",
"updated_at": "2022-09-04T14:36:55.739501Z",
"structure_string": "K2 La1 Cu1 Cl6\n1.0\n6.419915 -0.000000 3.706540\n2.139972 6.052754 3.706540\n-0.000000 -0.000000 7.413080\nK La Cu Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Cu\n0.738245 0.261755 0.261755 Cl\n0.261756 0.261755 0.738245 Cl\n0.261756 0.738244 0.738245 Cl\n0.261756 0.738244 0.261756 Cl\n0.738245 0.261755 0.738244 Cl\n0.738245 0.738244 0.261755 Cl\n",
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{
"id": "jvasp-21311",
"created_at": "2022-09-04T14:37:09.682948Z",
"updated_at": "2022-09-04T14:37:09.682974Z",
"structure_string": "Zn4 Sb2 W2 O12\n1.0\n0.000000 5.423247 -0.111601\n5.461467 0.000000 0.000000\n0.000000 -5.074001 -8.072737\nZn Sb W O\n4 2 2 12\ndirect\n0.286292 0.989111 0.256742 Zn\n0.713708 0.489111 0.243258 Zn\n0.713709 0.010889 0.743258 Zn\n0.286293 0.510889 0.756743 Zn\n0.500000 0.000000 -0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.667096 0.130266 0.283741 O\n0.332905 0.630267 0.216259 O\n0.733970 0.645337 0.055537 O\n0.266031 0.145337 0.444463 O\n0.266031 0.354663 0.944463 O\n0.968610 0.196437 0.096166 O\n0.031391 0.803563 0.903834 O\n0.968610 0.303563 0.596167 O\n0.332905 0.869734 0.716259 O\n0.031391 0.696438 0.403834 O\n0.733970 0.854663 0.555538 O\n0.667096 0.369734 0.783741 O\n",
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{
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"created_at": "2022-09-04T14:37:03.909670Z",
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"structure_string": "K2 Nd1 Cu1 I6\n1.0\n7.247691 -0.000000 4.184456\n2.415897 6.833188 4.184456\n-0.000000 -0.000000 8.368913\nK Nd Cu I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Cu\n0.760212 0.239788 0.239788 I\n0.239788 0.239788 0.760212 I\n0.239788 0.760212 0.760212 I\n0.239788 0.760212 0.239788 I\n0.760212 0.239788 0.760212 I\n0.760212 0.760212 0.239788 I\n",
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{
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"created_at": "2022-09-04T14:36:49.683232Z",
"updated_at": "2022-09-04T14:36:49.683258Z",
"structure_string": "Rb2 Cu1 Au1 F6\n1.0\n5.227668 -0.000000 3.018196\n1.742556 4.928693 3.018196\n-0.000000 -0.000000 6.036392\nRb Cu Au F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.735100 0.264900 0.264901 F\n0.264900 0.264900 0.735100 F\n0.264901 0.735099 0.735100 F\n0.264901 0.735099 0.264901 F\n0.735100 0.264900 0.735100 F\n0.735101 0.735099 0.264901 F\n",
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{
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"created_at": "2022-09-04T14:36:38.509534Z",
"updated_at": "2022-09-04T14:36:38.509545Z",
"structure_string": "Na2 Pr1 Cu1 Cl6\n1.0\n6.380493 -0.000000 3.683779\n2.126831 6.015586 3.683779\n0.000000 0.000000 7.367558\nNa Pr Cu Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Cu\n0.738918 0.261082 0.261082 Cl\n0.261082 0.261082 0.738918 Cl\n0.261081 0.738919 0.738918 Cl\n0.261081 0.738919 0.261082 Cl\n0.738918 0.261082 0.738919 Cl\n0.738918 0.738919 0.261082 Cl\n",
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"formula_full": "Na2 Pr1 Cu1 Cl6",
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},
{
"id": "jvasp-55618",
"created_at": "2022-09-04T14:36:44.956199Z",
"updated_at": "2022-09-04T14:36:44.956222Z",
"structure_string": "Sr4 Lu2 Bi2 O12\n1.0\n0.000000 5.891334 0.002603\n5.998500 0.000000 0.000000\n0.000000 -5.881086 -8.384524\nSr Lu Bi O\n4 2 2 12\ndirect\n0.239679 0.542923 0.250078 Sr\n0.760320 0.042923 0.249922 Sr\n0.239679 0.957077 0.750078 Sr\n0.760319 0.457077 0.749922 Sr\n0.500000 0.500000 0.000000 Lu\n0.499999 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Bi\n-0.000001 0.500000 0.500000 Bi\n0.663103 0.470570 0.252579 O\n0.336897 0.970570 0.247421 O\n0.155035 0.709570 0.952312 O\n0.844963 0.209570 0.547688 O\n0.844963 0.290430 0.047688 O\n0.755774 0.794502 0.047033 O\n0.244224 0.205498 0.952967 O\n0.755774 0.705498 0.547033 O\n0.663102 0.029430 0.752579 O\n0.244225 0.294502 0.452967 O\n0.155036 0.790430 0.452312 O\n0.336896 0.529430 0.747421 O\n",
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],
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"density": 7.3458513803587575,
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}
]
}