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{
"id": "jvasp-107646",
"created_at": "2022-09-04T14:36:53.249426Z",
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"structure_string": "Ba6 Yb2\n1.0\n8.470722 0.000000 0.000000\n-4.235361 7.335861 0.000000\n-0.000000 -0.000000 6.948822\nYb Ba\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.168411 0.336821 0.250000 Ba\n0.663179 0.831589 0.250000 Ba\n0.168411 0.831589 0.250000 Ba\n0.831589 0.663179 0.750000 Ba\n0.336821 0.168411 0.750000 Ba\n0.831589 0.168411 0.750000 Ba\n",
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{
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{
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"created_at": "2022-09-04T14:37:29.039756Z",
"updated_at": "2022-09-04T14:37:29.039776Z",
"structure_string": "Pt6 Cl12\n1.0\n7.730310 -0.024380 -2.533742\n-3.490054 6.897667 -2.533742\n-0.015040 -0.024380 8.134944\nPt Cl\n6 12\ndirect\n0.077771 0.333043 0.077771 Pt\n0.333042 0.077771 0.077771 Pt\n0.666958 0.922230 0.922230 Pt\n0.922230 0.666958 0.922229 Pt\n0.922230 0.922230 0.666958 Pt\n0.077771 0.077771 0.333042 Pt\n0.600056 0.600055 0.851372 Cl\n0.600056 0.851372 0.600056 Cl\n0.851372 0.600055 0.600055 Cl\n0.248152 -0.000000 0.751848 Cl\n0.399945 0.148628 0.399945 Cl\n0.248153 0.751848 0.000000 Cl\n0.000000 0.248152 0.751848 Cl\n0.751848 -0.000000 0.248152 Cl\n0.751848 0.248152 0.000000 Cl\n0.000001 0.751848 0.248152 Cl\n0.399945 0.399945 0.148628 Cl\n0.148628 0.399945 0.399945 Cl\n",
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{
"id": "jvasp-34573",
"created_at": "2022-09-04T14:36:37.046304Z",
"updated_at": "2022-09-04T14:36:37.046320Z",
"structure_string": "Ba4 S12\n1.0\n5.071034 0.000000 0.000000\n0.000000 8.466338 0.000000\n0.000000 0.000000 10.066663\nBa S\n4 12\ndirect\n0.015678 0.500000 0.000000 Ba\n0.984321 0.000000 0.500000 Ba\n0.026680 0.000000 0.000000 Ba\n0.973319 0.500000 0.500000 Ba\n0.470428 0.245004 0.491724 S\n0.411079 0.186754 0.289512 S\n0.529571 0.254996 0.991723 S\n0.411079 0.813247 0.710487 S\n0.588920 0.686754 0.210488 S\n0.984370 0.750204 0.249544 S\n0.015629 0.250204 0.250456 S\n0.984370 0.249796 0.750456 S\n0.529571 0.745004 0.008276 S\n0.015629 0.749796 0.749544 S\n0.470428 0.754996 0.508276 S\n0.588920 0.313247 0.789512 S\n",
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{
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"created_at": "2022-09-04T14:38:12.383079Z",
"updated_at": "2022-09-04T14:38:12.383105Z",
"structure_string": "Zr2 P4 S12\n1.0\n6.724926 -0.000000 0.000000\n0.000000 6.724926 0.000000\n0.000000 0.000000 9.558102\nZr P S\n2 4 12\ndirect\n0.000000 0.000000 0.750000 Zr\n0.000000 0.000000 0.250000 Zr\n0.657268 0.059192 0.000000 P\n0.342733 0.940808 0.000000 P\n0.059192 0.342733 0.500000 P\n0.940808 0.657268 0.500000 P\n0.784929 0.692380 0.320565 S\n0.307620 0.784929 0.820565 S\n0.692380 0.215071 0.820565 S\n0.215071 0.307620 0.320565 S\n0.841356 0.816324 0.000000 S\n0.158644 0.183676 0.000000 S\n0.816324 0.158644 0.500000 S\n0.784929 0.692380 0.679435 S\n0.692380 0.215071 0.179435 S\n0.215071 0.307620 0.679435 S\n0.183676 0.841356 0.500000 S\n0.307620 0.784929 0.179435 S\n",
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"volume": 432.2616236371695,
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},
{
"id": "jvasp-29488",
"created_at": "2022-09-04T14:38:17.094320Z",
"updated_at": "2022-09-04T14:38:17.094331Z",
"structure_string": "Au4 Se4 Cl4 O12\n1.0\n4.189923 0.005270 0.117821\n0.390869 9.677312 1.665637\n0.092445 0.058945 10.675036\nAu Se Cl O\n4 4 4 12\ndirect\n0.006982 0.577249 0.189501 Au\n0.000000 0.000000 0.000000 Au\n0.993016 0.422751 0.810500 Au\n-0.000001 -0.000000 0.500000 Au\n0.694518 0.862237 0.275483 Se\n0.226910 0.714395 0.898792 Se\n0.773089 0.285604 0.101209 Se\n0.305481 0.137763 0.724518 Se\n0.276940 0.199312 0.433340 Cl\n0.723058 0.800687 0.566660 Cl\n0.346564 0.501422 0.649125 Cl\n0.653434 0.498577 0.350876 Cl\n0.374591 0.049679 0.878243 O\n0.625408 0.950321 0.121758 O\n0.653482 0.354610 0.948122 O\n0.035898 0.759349 0.249019 O\n0.087336 0.169872 0.070798 O\n0.070079 0.395848 0.129301 O\n0.912662 0.830127 0.929203 O\n0.346516 0.645389 0.051879 O\n0.964101 0.240650 0.750982 O\n0.918522 0.993740 0.317242 O\n0.929919 0.604152 0.870700 O\n0.081477 0.006259 0.682759 O\n",
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"formula_full": "Au4 Se4 Cl4 O12",
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"spacegroup": 2
},
{
"id": "jvasp-29223",
"created_at": "2022-09-04T14:37:36.456755Z",
"updated_at": "2022-09-04T14:37:36.456778Z",
"structure_string": "I8 O20\n1.0\n5.078090 0.000000 0.000000\n0.000000 7.716862 -2.421584\n0.000000 -0.025025 11.039905\nI O\n8 20\ndirect\n0.121170 0.213657 0.125800 I\n0.878830 0.786342 0.874200 I\n0.378830 0.713657 0.125801 I\n0.667871 0.156291 0.374054 I\n0.167871 0.343708 0.625947 I\n0.332129 0.843708 0.625947 I\n0.832129 0.656291 0.374054 I\n0.621170 0.286342 0.874200 I\n0.660290 0.841543 0.494607 O\n0.160290 0.658456 0.505394 O\n0.339710 0.158456 0.505394 O\n0.839710 0.341543 0.494607 O\n0.466517 0.940035 0.193391 O\n0.966517 0.559964 0.806609 O\n0.525363 0.621730 0.253287 O\n0.660757 0.650690 0.015412 O\n0.160757 0.849309 0.984588 O\n0.339243 0.349309 0.984588 O\n0.839243 0.150690 0.015412 O\n0.490591 0.302125 0.308909 O\n0.990591 0.197874 0.691092 O\n0.509409 0.697874 0.691092 O\n0.009409 0.802125 0.308909 O\n0.974637 0.121730 0.253287 O\n0.474637 0.378269 0.746714 O\n0.025363 0.878269 0.746714 O\n0.033483 0.440035 0.193391 O\n0.533483 0.059964 0.806609 O\n",
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},
{
"id": "jvasp-57698",
"created_at": "2022-09-04T14:38:36.472679Z",
"updated_at": "2022-09-04T14:38:36.472706Z",
"structure_string": "Sn14 Os6\n1.0\n7.778672 -0.000000 -2.750176\n-3.889336 6.736528 -2.750176\n0.000000 0.000000 8.250528\nSn Os\n14 6\ndirect\n0.500000 0.250000 0.750000 Sn\n0.677897 0.677898 0.677897 Sn\n0.677897 0.000000 -0.000000 Sn\n-0.000000 -0.000000 0.677898 Sn\n-0.000000 0.677898 -0.000000 Sn\n-0.000000 0.322103 -0.000000 Sn\n0.322103 0.000000 -0.000000 Sn\n-0.000000 -0.000000 0.322103 Sn\n0.500000 0.750000 0.249999 Sn\n0.750000 0.500000 0.249999 Sn\n0.250000 0.500000 0.750000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.322102 0.322103 0.322102 Sn\n0.343596 -0.000000 0.343596 Os\n-0.000000 0.656404 0.656404 Os\n0.343596 0.343596 -0.000000 Os\n0.656404 0.656404 -0.000001 Os\n0.656404 -0.000000 0.656404 Os\n-0.000000 0.343596 0.343596 Os\n",
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},
{
"id": "jvasp-10968",
"created_at": "2022-09-04T14:37:16.190470Z",
"updated_at": "2022-09-04T14:37:16.190499Z",
"structure_string": "Ba2 Cu4 Sn2 Se8\n1.0\n6.598532 0.018804 0.000000\n-3.080420 5.835409 0.000000\n0.000000 0.000000 11.212079\nBa Cu Sn Se\n2 4 2 8\ndirect\n0.632474 0.632474 0.500000 Ba\n0.632474 0.632474 0.000000 Ba\n0.446708 0.010325 0.129493 Cu\n0.446708 0.010325 0.370507 Cu\n0.010325 0.446709 0.629493 Cu\n0.010325 0.446709 0.870508 Cu\n0.077088 0.376936 0.250000 Sn\n0.376936 0.077088 0.750000 Sn\n0.323558 0.445730 0.750000 Se\n0.746012 0.963209 0.250000 Se\n0.445730 0.323558 0.250000 Se\n0.963209 0.746012 0.750000 Se\n0.643692 0.130161 0.931170 Se\n0.130162 0.643692 0.068830 Se\n0.643692 0.130161 0.568830 Se\n0.130162 0.643692 0.431170 Se\n",
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{
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"structure_string": "Ga2 Pd1 I8\n1.0\n7.559239 -0.027943 0.558584\n0.291948 7.162682 3.631769\n-0.059509 0.109142 8.035144\nGa Pd I\n2 1 8\ndirect\n0.658474 0.211187 0.211187 Ga\n0.341526 0.788813 0.788813 Ga\n0.000000 0.000000 0.000000 Pd\n0.144854 0.656334 0.108566 I\n0.855146 0.891434 0.343665 I\n0.344596 0.158005 0.158004 I\n0.655404 0.841995 0.841995 I\n0.144854 0.108565 0.656334 I\n0.855146 0.343666 0.891434 I\n0.682150 0.392858 0.392857 I\n0.317851 0.607142 0.607142 I\n",
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"spacegroup": 12
},
{
"id": "jvasp-12542",
"created_at": "2022-09-04T14:38:36.107389Z",
"updated_at": "2022-09-04T14:38:36.107406Z",
"structure_string": "K2 Sn4 Cl10\n1.0\n7.132129 0.000000 -3.576932\n-1.793917 6.902835 -3.576932\n-0.034714 -0.044888 8.829709\nK Sn Cl\n2 4 10\ndirect\n0.250000 0.250000 0.500000 K\n0.750000 0.749999 0.500000 K\n0.329654 0.170346 0.000000 Sn\n0.170346 0.670346 -0.000000 Sn\n0.670346 0.829653 -0.000000 Sn\n0.829654 0.329654 0.000000 Sn\n0.198838 0.698837 0.723394 Cl\n0.475444 0.975444 0.276606 Cl\n0.801162 0.301162 0.276606 Cl\n0.975445 0.801161 0.276606 Cl\n0.301162 0.475444 0.276606 Cl\n0.024555 0.198838 0.723394 Cl\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 -0.000000 Cl\n0.524556 0.024555 0.723394 Cl\n0.698838 0.524555 0.723394 Cl\n",
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{
"id": "jvasp-95535",
"created_at": "2022-09-04T14:35:42.316394Z",
"updated_at": "2022-09-04T14:35:42.316421Z",
"structure_string": "Fe4 Sb8 O16\n1.0\n5.853244 0.000000 0.000000\n0.000000 8.595106 0.000003\n0.000000 -0.000003 8.595106\nFe Sb O\n4 8 16\ndirect\n0.784415 0.000000 0.500000 Fe\n0.715584 0.500000 -0.000000 Fe\n0.215585 0.000000 0.500000 Fe\n0.284415 0.500000 -0.000000 Fe\n0.500000 0.845331 0.826616 Sb\n0.000000 0.656941 0.683033 Sb\n0.500000 0.316968 0.656941 Sb\n0.500000 0.683033 0.343059 Sb\n0.500000 0.154669 0.173384 Sb\n0.000000 0.826616 0.154669 Sb\n0.000000 0.343059 0.316967 Sb\n0.000000 0.173384 0.845331 Sb\n0.757438 0.173792 0.330369 O\n0.500000 0.088040 0.644068 O\n0.742561 0.330370 0.826209 O\n0.257439 0.669631 0.173791 O\n0.500000 0.613556 0.847959 O\n0.257439 0.330370 0.826209 O\n0.242561 0.173792 0.330369 O\n0.000000 0.644069 0.911960 O\n0.000000 0.355932 0.088040 O\n0.242561 0.826209 0.669631 O\n0.757438 0.826209 0.669631 O\n0.000000 0.847959 0.386445 O\n0.000000 0.152042 0.613555 O\n0.500000 0.386445 0.152042 O\n0.500000 0.911961 0.355932 O\n0.742561 0.669631 0.173791 O\n",
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"formula_full": "Fe4 Sb8 O16",
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}
]
}