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{
"id": "jvasp-3384",
"created_at": "2022-09-04T14:36:20.058306Z",
"updated_at": "2022-09-04T14:36:20.058333Z",
"structure_string": "K2 Ni1 O2\n1.0\n3.767240 0.000000 -1.108538\n-0.326196 3.753091 -1.108538\n0.003448 0.003761 6.967253\nK Ni O\n2 1 2\ndirect\n0.654177 0.654178 0.308356 K\n0.345821 0.345822 0.691643 K\n0.000000 0.000000 0.000000 Ni\n0.133526 0.133525 0.267049 O\n0.866476 0.866474 0.732949 O\n",
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{
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"structure_string": "Li6 Fe2 P2 C2 O14\n1.0\n6.138158 0.000000 0.000000\n0.000000 4.986581 0.500674\n0.000000 0.521460 8.883901\nLi Fe P C O\n6 2 2 2 14\ndirect\n0.767088 0.073586 0.309672 Li\n0.232913 0.073586 0.309672 Li\n0.725131 0.289146 0.763004 Li\n0.274869 0.289146 0.763004 Li\n0.771206 0.770791 -0.047882 Li\n0.228794 0.770791 -0.047882 Li\n0.500000 0.551154 0.326505 Fe\n-0.000000 0.958547 0.645504 Fe\n0.500000 0.784081 0.625895 P\n-0.000000 0.525459 0.444665 P\n-0.000000 0.223730 0.010725 C\n0.500000 0.349496 0.061671 C\n0.500000 0.255644 0.936355 O\n0.300751 0.884995 0.713212 O\n0.699249 0.884995 0.713212 O\n-0.000000 0.380322 0.613512 O\n0.500000 0.476226 0.639988 O\n-0.000000 0.837299 0.440861 O\n0.500000 0.194227 0.192022 O\n0.798477 0.440982 0.361015 O\n0.201523 0.440982 0.361015 O\n-0.000000 0.104399 0.148265 O\n0.500000 0.613789 0.065571 O\n-0.000000 0.069285 0.901754 O\n0.500000 0.898810 0.453598 O\n-0.000000 0.483805 0.969671 O\n",
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{
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"updated_at": "2022-09-04T14:35:58.668054Z",
"structure_string": "Ta2 P8 S10 Cl10\n1.0\n6.274399 -0.057617 -1.518116\n-3.319035 9.414212 -1.309117\n0.002158 0.055605 12.720143\nTa P S Cl\n2 8 10 10\ndirect\n0.384738 0.262125 0.149340 Ta\n0.615262 0.737874 0.850659 Ta\n0.073287 0.420856 0.690871 P\n0.956529 0.896834 0.254914 P\n0.926712 0.579143 0.309128 P\n0.751415 0.683212 0.411532 P\n0.043470 0.103165 0.745085 P\n0.120366 0.816259 0.512522 P\n0.248584 0.316787 0.588467 P\n0.879633 0.183740 0.487477 P\n0.659115 0.816430 0.311516 S\n0.989385 0.697819 0.187523 S\n0.214211 0.636073 0.447255 S\n0.830310 0.369608 0.246156 S\n0.010615 0.302180 0.812476 S\n0.785788 0.363926 0.552744 S\n0.207231 0.971533 0.413960 S\n0.169689 0.630391 0.753843 S\n0.340885 0.183569 0.688483 S\n0.792768 0.028466 0.586039 S\n0.521924 0.785556 0.014387 Cl\n0.478075 0.214443 -0.014388 Cl\n0.386440 0.487596 0.124423 Cl\n0.613560 0.512403 0.875576 Cl\n0.458007 0.056639 0.195143 Cl\n0.651056 0.683033 0.669134 Cl\n0.541992 0.943360 0.804856 Cl\n0.999261 0.845657 0.928846 Cl\n0.000738 0.154342 0.071153 Cl\n0.348944 0.316966 0.330865 Cl\n",
"nsites": 30,
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"elements": [
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"formula_full": "Ta2 P8 S10 Cl10",
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{
"id": "jvasp-1960",
"created_at": "2022-09-04T14:36:36.646556Z",
"updated_at": "2022-09-04T14:36:36.646581Z",
"structure_string": "Ca2 N1 Cl1\n1.0\n3.524067 0.005657 5.931966\n1.633444 3.122649 5.931966\n0.009326 0.005657 6.899795\nCa N Cl\n2 1 1\ndirect\n0.770963 0.770965 0.770964 Ca\n0.229037 0.229037 0.229037 Ca\n0.500000 0.500001 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:37:06.314690Z",
"updated_at": "2022-09-04T14:37:06.314712Z",
"structure_string": "Nb6 Cl30\n1.0\n5.796941 -0.008266 0.041959\n0.088353 12.771453 0.333919\n-0.019922 -0.002561 12.776108\nNb Cl\n6 30\ndirect\n0.000000 0.111523 0.888477 Nb\n0.487356 0.221660 0.444818 Nb\n0.512644 0.555181 0.778340 Nb\n-0.000000 0.888476 0.111523 Nb\n0.487356 0.444818 0.221661 Nb\n0.512644 0.778339 0.555182 Nb\n0.265575 0.802924 0.417273 Cl\n0.734425 0.582726 0.197076 Cl\n0.285206 0.614029 0.614029 Cl\n0.240794 0.469458 0.083580 Cl\n0.724752 0.132493 0.327926 Cl\n0.275248 0.672074 0.867507 Cl\n0.275248 0.867507 0.672075 Cl\n0.724752 0.327925 0.132493 Cl\n0.240794 0.083580 0.469459 Cl\n0.759204 0.530541 0.916420 Cl\n0.759204 0.916419 0.530542 Cl\n0.714793 0.385971 0.385971 Cl\n0.249262 0.338218 0.534111 Cl\n0.230738 0.947325 0.947326 Cl\n0.750738 0.465889 0.661783 Cl\n0.750737 0.661782 0.465890 Cl\n0.249262 0.534110 0.338218 Cl\n0.734425 0.197075 0.582727 Cl\n0.265575 0.417273 0.802925 Cl\n0.751511 0.249810 0.863698 Cl\n0.259270 0.280679 0.280679 Cl\n0.248489 0.136302 0.750190 Cl\n0.751511 0.863697 0.249810 Cl\n0.232548 0.200701 0.005232 Cl\n0.767451 0.994767 0.799299 Cl\n0.767452 0.799298 0.994768 Cl\n0.232548 0.005232 0.200701 Cl\n0.769261 0.052674 0.052675 Cl\n0.248489 0.750189 0.136302 Cl\n0.740729 0.719320 0.719321 Cl\n",
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{
"id": "jvasp-79168",
"created_at": "2022-09-04T14:37:51.608098Z",
"updated_at": "2022-09-04T14:37:51.608141Z",
"structure_string": "Mg3 Cr1\n1.0\n6.052821 0.202264 0.000000\n-1.425622 2.469250 0.000000\n0.000000 -0.000000 4.784557\nMg Cr\n3 1\ndirect\n0.652669 0.652668 0.250000 Mg\n0.327168 0.327167 0.750001 Mg\n0.866892 0.366891 0.750001 Mg\n0.153271 0.653271 0.250000 Cr\n",
"nsites": 4,
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"volume": 72.88928226970526,
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{
"id": "jvasp-104540",
"created_at": "2022-09-04T14:36:47.526725Z",
"updated_at": "2022-09-04T14:36:47.526734Z",
"structure_string": "Rb3 Gd1 Cl6\n1.0\n6.950332 -0.000000 4.012776\n2.316777 6.552836 4.012776\n-0.000000 -0.000000 8.025552\nRb Gd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Gd\n0.766865 0.233135 0.233135 Cl\n0.233135 0.233135 0.766865 Cl\n0.233135 0.766866 0.766865 Cl\n0.233135 0.766866 0.233135 Cl\n0.766865 0.233135 0.766866 Cl\n0.766865 0.766866 0.233135 Cl\n",
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"volume": 365.51883607688416,
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{
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"structure_string": "Ba1 Mg6 V1\n1.0\n6.604689 0.000411 0.000000\n-3.301988 5.720033 0.000000\n0.000000 0.000000 5.161138\nBa Mg V\n1 6 1\ndirect\n0.416670 0.083330 0.750000 Ba\n0.062425 0.906123 0.250000 Mg\n0.593876 0.437574 0.250000 Mg\n0.593840 0.906159 0.250000 Mg\n0.387371 0.568696 0.750000 Mg\n0.931303 0.112628 0.750000 Mg\n0.931246 0.568753 0.750000 Mg\n0.083265 0.416735 0.250000 V\n",
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{
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"structure_string": "Na4 Te1 Se1\n1.0\n4.964722 0.000000 -0.000000\n0.000000 4.964722 0.000000\n0.000000 0.000000 7.068848\nNa Te Se\n4 1 1\ndirect\n0.500000 0.000000 0.762900 Na\n0.000000 0.500000 0.237100 Na\n0.500000 0.000000 0.237100 Na\n0.000000 0.500000 0.762900 Na\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Se\n",
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{
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{
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"created_at": "2022-09-04T14:37:08.500834Z",
"updated_at": "2022-09-04T14:37:08.500857Z",
"structure_string": "Rb6 B2 P4\n1.0\n6.396238 0.009430 1.674200\n-0.202910 6.393025 1.674200\n0.007560 0.007816 9.402135\nRb B P\n6 2 4\ndirect\n0.244515 0.345088 0.983141 Rb\n0.654913 0.755485 0.516858 Rb\n0.755486 0.654912 0.016858 Rb\n0.345087 0.244515 0.483142 Rb\n0.843788 0.156213 0.749999 Rb\n0.156212 0.843787 0.250000 Rb\n0.784104 0.215896 0.250000 B\n0.215896 0.784104 0.750000 B\n0.903610 0.342738 0.354690 P\n0.657262 0.096390 0.145309 P\n0.342738 0.903610 0.854690 P\n0.096390 0.657262 0.645309 P\n",
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]
}