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{
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{
"id": "jvasp-120724",
"created_at": "2022-09-04T14:38:53.795992Z",
"updated_at": "2022-09-04T14:38:53.796017Z",
"structure_string": "Rb4 Cu4 Te4 S12\n1.0\n10.570131 0.000000 0.000000\n-0.000000 7.103955 2.022549\n-0.000000 0.003138 8.083214\nRb Cu Te S\n4 4 4 12\ndirect\n0.239847 0.474456 0.883383 Rb\n0.760153 0.525545 0.116617 Rb\n0.739847 0.525545 0.616616 Rb\n0.260153 0.474456 0.383383 Rb\n0.249507 0.914661 0.520336 Cu\n0.750493 0.085340 0.479663 Cu\n0.749507 0.085340 0.979663 Cu\n0.250493 0.914661 0.020336 Cu\n0.999171 0.063928 0.732935 Te\n0.000828 0.936073 0.267064 Te\n0.499171 0.936074 0.767064 Te\n0.500828 0.063927 0.232936 Te\n0.938116 0.263260 0.914804 S\n0.060201 0.738542 0.548604 S\n0.939799 0.261459 0.451395 S\n0.560201 0.261459 0.951395 S\n0.439799 0.738542 0.048605 S\n0.729921 0.892978 0.776180 S\n0.270079 0.107023 0.223819 S\n0.229921 0.107023 0.723819 S\n0.770079 0.892978 0.276181 S\n0.438116 0.736741 0.585195 S\n0.561884 0.263260 0.414805 S\n0.061884 0.736741 0.085195 S\n",
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{
"id": "jvasp-112730",
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"structure_string": "Mg4 Nb2 N6\n1.0\n5.227495 0.005799 2.236486\n1.576906 4.983986 2.236486\n0.006352 0.004658 5.740155\nMg Nb N\n4 2 6\ndirect\n0.754382 0.915862 0.077216 Mg\n0.084139 0.245620 0.422784 Mg\n0.245619 0.084140 0.922783 Mg\n0.915862 0.754381 0.577216 Mg\n0.410700 0.589301 0.750000 Nb\n0.589301 0.410700 0.250000 Nb\n0.096410 0.903591 0.750000 N\n0.903591 0.096410 0.250000 N\n0.729148 0.587464 0.424455 N\n0.412538 0.270853 0.075545 N\n0.270853 0.412538 0.575545 N\n0.587463 0.729148 0.924454 N\n",
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{
"id": "jvasp-85968",
"created_at": "2022-09-04T14:36:14.881240Z",
"updated_at": "2022-09-04T14:36:14.881258Z",
"structure_string": "K6 Pd4 O8\n1.0\n5.510714 -0.004366 -0.000000\n-2.079877 5.103146 0.000000\n0.000000 0.000000 11.411484\nK Pd O\n6 4 8\ndirect\n0.353082 0.646918 0.568407 K\n0.646917 0.353082 0.068407 K\n0.283635 0.716365 0.250000 K\n0.646917 0.353082 0.431593 K\n0.716364 0.283635 0.750000 K\n0.353082 0.646918 0.931593 K\n0.000000 0.000000 0.500000 Pd\n0.922293 0.077705 0.250000 Pd\n0.077705 0.922295 0.750000 Pd\n0.000000 0.000000 0.000000 Pd\n0.130286 0.296831 0.115197 O\n0.130286 0.296831 0.384803 O\n0.703168 0.869714 0.384803 O\n0.296831 0.130286 0.615196 O\n0.703168 0.869714 0.115197 O\n0.869712 0.703169 0.615196 O\n0.296831 0.130286 0.884803 O\n0.869712 0.703169 0.884803 O\n",
"nsites": 18,
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{
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"updated_at": "2022-09-04T14:38:45.792608Z",
"structure_string": "Te1 S1 O1\n1.0\n2.930795 -0.000000 0.000000\n-0.000000 2.930795 -0.000000\n0.000000 -0.000000 8.323188\nTe S O\n1 1 1\ndirect\n0.000000 0.000000 0.663948 Te\n0.000000 0.000000 0.238777 S\n0.000000 0.000000 0.059957 O\n",
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{
"id": "jvasp-22930",
"created_at": "2022-09-04T14:37:35.272625Z",
"updated_at": "2022-09-04T14:37:35.272651Z",
"structure_string": "Sr6 Sc2 B6 O18\n1.0\n7.403650 0.010260 -1.982235\n-2.585256 6.937622 -1.982236\n0.007115 0.010261 7.664414\nSr Sc B O\n6 2 6 18\ndirect\n0.349052 0.739268 0.837995 Sr\n0.739268 0.837995 0.349052 Sr\n0.650948 0.260732 0.162005 Sr\n0.162004 0.650948 0.260731 Sr\n0.260732 0.162004 0.650948 Sr\n0.837996 0.349052 0.739268 Sr\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.039860 0.290508 0.369491 B\n0.290508 0.369491 0.039860 B\n0.369492 0.039860 0.290508 B\n0.709492 0.630508 0.960139 B\n0.630508 0.960139 0.709491 B\n0.960140 0.709491 0.630508 B\n0.920184 0.191774 0.444176 O\n0.261208 0.172789 0.984695 O\n0.984695 0.261207 0.172789 O\n0.738792 0.827211 0.015304 O\n0.827211 0.015304 0.738793 O\n0.191775 0.444175 0.920184 O\n0.015304 0.738792 0.827210 O\n0.785053 0.566927 0.508154 O\n0.566928 0.508154 0.785053 O\n0.491846 0.214946 0.433072 O\n0.172789 0.984695 0.261207 O\n0.433072 0.491846 0.214946 O\n0.079816 0.808226 0.555824 O\n0.808226 0.555824 0.079816 O\n0.555825 0.079816 0.808226 O\n0.444175 0.920184 0.191774 O\n0.508154 0.785053 0.566927 O\n0.214946 0.433072 0.491845 O\n",
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"density_atomic": 0.08118179943682004,
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"formula_full": "Sr6 Sc2 B6 O18",
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"formula_anonymous": "AB3C3D9",
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"spacegroup": 148
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{
"id": "jvasp-70274",
"created_at": "2022-09-04T14:35:41.652260Z",
"updated_at": "2022-09-04T14:35:41.652290Z",
"structure_string": "Ca1 Be2 In1\n1.0\n3.108371 0.000000 0.000000\n0.000000 3.108371 0.000000\n0.000000 -0.000000 7.284504\nCa Be In\n1 2 1\ndirect\n0.000000 0.000000 0.461599 Ca\n0.000000 0.000000 0.063044 Be\n0.500000 0.500000 0.172035 Be\n0.500000 0.500000 0.803322 In\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-116246",
"created_at": "2022-09-04T14:38:41.289818Z",
"updated_at": "2022-09-04T14:38:41.289843Z",
"structure_string": "Li2 As2\n1.0\n4.785497 0.587808 0.358608\n3.708759 -4.158052 0.976921\n1.372144 4.298960 -3.541321\nLi As\n2 2\ndirect\n0.069463 0.797357 0.923436 Li\n0.111350 0.277367 -0.075069 Li\n0.090869 0.265430 0.422560 As\n0.089973 0.809419 0.425793 As\n",
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{
"id": "jvasp-113198",
"created_at": "2022-09-04T14:38:44.327941Z",
"updated_at": "2022-09-04T14:38:44.327968Z",
"structure_string": "Li4 Fe4 O2 F8\n1.0\n2.853095 0.000078 -0.000006\n1.427035 4.863422 0.000015\n-0.000017 0.000058 12.764336\nLi Fe O F\n4 4 2 8\ndirect\n0.775024 0.449617 0.888402 Li\n0.224971 0.550385 0.388401 Li\n0.511668 0.976371 0.992409 Li\n0.488331 0.023631 0.492407 Li\n0.750077 0.500110 0.616565 Fe\n0.249926 0.499889 0.116566 Fe\n0.962634 0.075266 0.257554 Fe\n0.037362 0.924730 0.757555 Fe\n0.324301 0.351826 0.254195 O\n0.675694 0.648173 0.754195 O\n0.873612 0.252544 0.028307 F\n0.126389 0.747457 0.528307 F\n0.847864 0.304637 0.466182 F\n0.152135 0.695365 0.966183 F\n0.578276 0.843062 0.143819 F\n0.421729 0.156940 0.643819 F\n0.579211 0.841851 0.352567 F\n0.420785 0.158148 0.852568 F\n",
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{
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"created_at": "2022-09-04T14:36:09.189133Z",
"updated_at": "2022-09-04T14:36:09.189150Z",
"structure_string": "Hf1 Mg6 Nb1\n1.0\n6.414025 0.319355 0.000000\n-2.930442 5.075669 0.000000\n0.000000 0.000000 5.070890\nHf Mg Nb\n1 6 1\ndirect\n0.151038 0.825514 0.250000 Hf\n0.650956 0.325371 0.250000 Mg\n0.650959 0.825592 0.250000 Mg\n0.334027 0.170948 0.750000 Mg\n0.334032 0.663070 0.750000 Mg\n0.870571 0.185300 0.750000 Mg\n0.851212 0.675603 0.750000 Mg\n0.157210 0.328603 0.250000 Nb\n",
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"structure_string": "K2 Hg1 As1 Br6\n1.0\n6.778895 -0.000000 3.913797\n2.259632 6.391204 3.913797\n-0.000000 -0.000000 7.827594\nK Hg As Br\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 Hg\n0.000000 0.000000 0.000000 As\n0.759750 0.240250 0.240250 Br\n0.240250 0.240250 0.759750 Br\n0.240250 0.759749 0.759750 Br\n0.240250 0.759749 0.240251 Br\n0.759750 0.240250 0.759750 Br\n0.759750 0.759749 0.240251 Br\n",
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{
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"structure_string": "Sc1 O1 F1\n1.0\n0.000000 2.534096 2.534096\n2.534096 0.000000 2.534096\n2.534096 2.534096 0.000000\nSc O F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750003 0.750003 0.750003 O\n0.250001 0.250001 0.250001 F\n",
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{
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"updated_at": "2022-09-04T14:36:53.463117Z",
"structure_string": "Sr2 Ge2 H4 O8\n1.0\n5.944047 0.023903 -1.827725\n-3.237827 4.984851 -1.827725\n-0.012915 -0.023903 6.218690\nSr Ge H O\n2 2 4 8\ndirect\n0.500000 0.500000 0.000001 Sr\n0.249999 0.750000 0.500001 Sr\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500001 Ge\n0.697944 0.625000 0.572945 H\n0.374999 0.947944 0.072945 H\n0.874999 0.302055 0.927056 H\n0.052055 0.125000 0.427056 H\n0.015843 0.929227 0.260567 O\n0.070773 0.331339 0.086617 O\n0.244722 0.984157 0.913384 O\n0.668660 0.755277 0.739434 O\n0.081339 0.320773 0.586617 O\n0.734156 0.494723 0.413384 O\n0.679226 0.265843 0.760567 O\n0.505276 0.918660 0.239434 O\n",
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}
]
}