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{
"id": "jvasp-44393",
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"structure_string": "Li4 Ni6 Sb2 O16\n1.0\n2.910403 -5.040967 -0.000000\n2.910403 5.040967 -0.000000\n-0.000000 0.000000 9.513782\nLi Ni Sb O\n4 6 2 16\ndirect\n0.666667 0.333332 0.096211 Li\n0.000000 0.000000 0.010021 Li\n0.000000 0.000000 0.510021 Li\n0.333332 0.666667 0.596211 Li\n0.163628 0.338426 0.285504 Ni\n0.174798 0.836372 0.285504 Ni\n0.661573 0.825201 0.285504 Ni\n0.825201 0.661573 0.785504 Ni\n0.338426 0.163628 0.785504 Ni\n0.836372 0.174798 0.785504 Ni\n0.666667 0.333332 0.511909 Sb\n0.333332 0.666667 0.011909 Sb\n0.178727 0.855828 0.906792 O\n0.144171 0.322898 0.906792 O\n0.333332 0.666667 0.379860 O\n0.510825 0.969916 0.156927 O\n0.030083 0.540910 0.156927 O\n0.855828 0.178727 0.406792 O\n0.969916 0.510825 0.656927 O\n0.489173 0.459089 0.656927 O\n0.821272 0.677100 0.406792 O\n0.000000 0.000000 0.200430 O\n0.000000 0.000000 0.700430 O\n0.666667 0.333332 0.879860 O\n0.459089 0.489173 0.156927 O\n0.322898 0.144171 0.406792 O\n0.540910 0.030083 0.656927 O\n0.677100 0.821272 0.906792 O\n",
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{
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"structure_string": "Li4 Nb2 Cr6 O16\n1.0\n2.953860 -5.116234 0.000000\n2.953860 5.116234 -0.000000\n-0.000000 0.000000 9.530768\nLi Nb Cr O\n4 2 6 16\ndirect\n0.333333 0.666667 0.900833 Li\n0.000000 0.000000 0.994184 Li\n0.000000 0.000000 0.494184 Li\n0.666667 0.333333 0.400833 Li\n0.333333 0.666667 0.492811 Nb\n0.666667 0.333333 0.992811 Nb\n0.830678 0.661355 0.715258 Cr\n0.338645 0.169322 0.715258 Cr\n0.830678 0.169322 0.715258 Cr\n0.661355 0.830678 0.215258 Cr\n0.169322 0.338645 0.215258 Cr\n0.169322 0.830678 0.215258 Cr\n0.835031 0.164969 0.095611 O\n0.329937 0.164969 0.095611 O\n0.666667 0.333333 0.608145 O\n0.963334 0.481667 0.838679 O\n0.518333 0.036666 0.838679 O\n0.164969 0.835031 0.595611 O\n0.481667 0.963334 0.338679 O\n0.481667 0.518333 0.338679 O\n0.670063 0.835031 0.595611 O\n0.000000 0.000000 0.809332 O\n0.000000 0.000000 0.309332 O\n0.333333 0.666667 0.108145 O\n0.518333 0.481667 0.838679 O\n0.164969 0.329937 0.595611 O\n0.036666 0.518333 0.338679 O\n0.835031 0.670063 0.095611 O\n",
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{
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"updated_at": "2022-09-04T14:38:32.846835Z",
"structure_string": "K12 B4 S12\n1.0\n0.000000 9.994618 0.237244\n6.230045 0.000000 0.000000\n0.000000 -4.923002 -11.585480\nK B S\n12 4 12\ndirect\n0.459064 0.710764 0.587620 K\n0.540936 0.210763 0.912380 K\n0.540936 0.289237 0.412380 K\n0.459064 0.789237 0.087620 K\n0.779322 0.818064 0.894727 K\n0.220679 0.318063 0.605273 K\n0.220678 0.181937 0.105273 K\n0.779322 0.681937 0.394727 K\n0.108766 0.542346 0.850166 K\n0.891235 0.042345 0.649834 K\n0.891235 0.457655 0.149834 K\n0.108766 0.957655 0.350166 K\n0.268612 0.643974 0.258259 B\n0.731389 0.143973 0.241742 B\n0.731389 0.356027 0.741742 B\n0.268612 0.856027 0.758259 B\n0.430204 0.686907 0.832450 S\n0.569797 0.186907 0.667551 S\n0.569797 0.313094 0.167551 S\n0.430204 0.813094 0.332450 S\n0.149495 0.810958 0.603742 S\n0.850506 0.310958 0.896259 S\n0.850506 0.189043 0.396259 S\n0.149495 0.689043 0.103742 S\n0.215391 0.439861 0.339963 S\n0.784609 0.939861 0.160038 S\n0.784609 0.560140 0.660038 S\n0.215392 0.060139 0.839963 S\n",
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{
"id": "jvasp-116612",
"created_at": "2022-09-04T14:38:43.507727Z",
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"structure_string": "Lu4 Al18 Ir6\n1.0\n7.503671 0.001573 0.000000\n-3.706027 6.524603 0.000000\n0.000000 -0.000000 9.420392\nLu Al Ir\n4 18 6\ndirect\n0.995775 0.672120 0.250000 Lu\n0.004224 0.327879 0.750000 Lu\n0.672120 0.995775 0.250000 Lu\n0.327879 0.004224 0.750000 Lu\n0.450389 0.660658 0.750000 Al\n0.549610 0.339341 0.250000 Al\n0.660658 0.450389 0.750000 Al\n0.339341 0.549610 0.250000 Al\n0.332814 0.332814 0.942969 Al\n0.667185 0.667185 0.057031 Al\n0.667185 0.667185 0.442969 Al\n0.332814 0.332814 0.557030 Al\n0.335369 0.000474 0.075787 Al\n0.664630 0.999525 0.575787 Al\n0.000474 0.335369 0.424213 Al\n0.335369 0.000474 0.424213 Al\n0.999525 0.664630 0.575787 Al\n0.999525 0.664630 0.924213 Al\n0.000474 0.335369 0.075787 Al\n0.871364 0.871364 0.750000 Al\n0.128635 0.128635 0.250000 Al\n0.664630 0.999525 0.924213 Al\n0.000000 0.000000 0.000000 Ir\n0.672275 0.327724 -0.000000 Ir\n0.327724 0.672275 -0.000000 Ir\n0.327724 0.672275 0.500000 Ir\n0.672275 0.327724 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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{
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"created_at": "2022-09-04T14:38:42.524901Z",
"updated_at": "2022-09-04T14:38:42.524933Z",
"structure_string": "Tb8 Mg4 Se16\n1.0\n4.019654 -0.000000 0.000000\n0.000000 13.181713 0.000000\n-0.000000 -0.000000 14.042948\nTb Mg Se\n8 4 16\ndirect\n0.250000 0.116275 0.075268 Tb\n0.749999 0.883725 0.924732 Tb\n0.749999 0.383725 0.575268 Tb\n0.250000 0.616275 0.424732 Tb\n0.250000 0.140755 0.703068 Tb\n0.749999 0.859245 0.296932 Tb\n0.749999 0.359245 0.203068 Tb\n0.250000 0.640754 0.796932 Tb\n0.749999 0.610791 0.044801 Mg\n0.250000 0.389208 0.955200 Mg\n0.250000 0.889208 0.544801 Mg\n0.749999 0.110792 0.455199 Mg\n0.250000 0.739309 0.987132 Se\n0.749999 0.260691 0.012868 Se\n0.250000 0.722585 0.249168 Se\n0.749999 0.277415 0.750832 Se\n0.749999 0.777415 0.749168 Se\n0.250000 0.222585 0.250832 Se\n0.250000 0.529915 0.618364 Se\n0.250000 0.993018 0.382412 Se\n0.749999 0.970085 0.118364 Se\n0.250000 0.029915 0.881636 Se\n0.749999 0.506982 0.882413 Se\n0.250000 0.493018 0.117588 Se\n0.250000 0.239309 0.512868 Se\n0.749999 0.006982 0.617588 Se\n0.749999 0.470085 0.381636 Se\n0.749999 0.760691 0.487132 Se\n",
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{
"id": "jvasp-59088",
"created_at": "2022-09-04T14:38:36.927894Z",
"updated_at": "2022-09-04T14:38:36.927915Z",
"structure_string": "Rb6 Os4 Br18\n1.0\n3.702485 -6.412892 -0.000000\n3.702485 6.412892 0.000000\n-0.000000 -0.000000 17.878576\nRb Os Br\n6 4 18\ndirect\n0.333332 0.666666 0.430482 Rb\n0.666666 0.333332 0.930483 Rb\n0.666666 0.333332 0.569518 Rb\n0.333332 0.666666 0.069518 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.666666 0.333332 0.325879 Os\n0.333332 0.666666 0.825880 Os\n0.666666 0.333332 0.174121 Os\n0.333332 0.666666 0.674121 Os\n0.652997 0.826497 0.592142 Br\n0.173501 0.826498 0.592142 Br\n0.826497 0.652997 0.407859 Br\n0.347002 0.173501 0.407859 Br\n0.652997 0.826497 0.907859 Br\n0.173501 0.347002 0.907859 Br\n0.826498 0.173501 0.407859 Br\n0.347002 0.173501 0.092141 Br\n-0.006462 0.496769 0.750000 Br\n0.826497 0.652997 0.092141 Br\n0.496769 0.503230 0.250000 Br\n0.503230 0.006462 0.750000 Br\n0.173501 0.347002 0.592142 Br\n0.006462 0.503230 0.250000 Br\n0.496769 -0.006462 0.250000 Br\n0.503230 0.496769 0.750000 Br\n0.826498 0.173501 0.092141 Br\n0.173501 0.826498 0.907859 Br\n",
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{
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"created_at": "2022-09-04T14:38:43.492359Z",
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"structure_string": "Li2 Co10 O14 F2\n1.0\n5.689011 0.033021 -0.086734\n2.813596 4.688744 1.572532\n0.094075 0.046214 9.887271\nLi Co O F\n2 10 14 2\ndirect\n0.012736 0.008518 0.004253 Li\n0.512735 0.008446 0.504254 Li\n0.935242 0.619342 0.809670 Co\n0.435214 0.619324 0.309666 Co\n0.928991 0.125548 0.309665 Co\n0.682094 0.619359 0.062775 Co\n0.429014 0.125567 0.809671 Co\n0.438609 0.625743 0.812863 Co\n0.938584 0.625719 0.312869 Co\n0.867444 0.244940 0.622481 Co\n0.367403 0.244970 0.122475 Co\n0.182125 0.619326 0.562775 Co\n0.069302 0.860661 0.208646 O\n0.347620 0.860672 0.930330 O\n0.847630 0.860633 0.430341 O\n0.790990 0.417313 0.930341 O\n0.290988 0.417269 0.430341 O\n0.569330 0.860680 0.708650 O\n0.305305 0.387251 0.918042 O\n0.076522 0.384338 0.692180 O\n0.080920 0.836072 0.693618 O\n0.580881 0.836087 0.193625 O\n0.529726 0.387272 0.693629 O\n0.029685 0.387276 0.193625 O\n0.576491 0.384346 0.192169 O\n0.805278 0.387227 0.418040 O\n0.309589 0.873028 0.436508 F\n0.809595 0.873055 0.936511 F\n",
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"structure_string": "Li6 V6 O16\n1.0\n5.865080 -0.000022 -0.000004\n-2.932556 4.732811 -1.720016\n-0.000000 -0.205705 10.069035\nLi V O\n6 6 16\ndirect\n0.440003 0.880006 0.310016 Li\n0.940002 0.880004 0.810016 Li\n-0.011455 0.495131 0.002420 Li\n0.488545 0.495131 0.502420 Li\n0.506587 0.495132 0.002420 Li\n0.006587 0.495132 0.502419 Li\n0.753773 0.507547 0.278891 V\n0.253774 0.507549 0.778891 V\n0.063442 0.126885 0.186535 V\n0.471110 0.942221 -0.003754 V\n0.563444 0.126888 0.686536 V\n0.971110 0.942221 0.496247 V\n0.141790 0.283580 0.868363 O\n0.111373 0.754704 0.372660 O\n0.611372 0.754703 0.872659 O\n0.881634 0.763269 0.608225 O\n0.381633 0.763267 0.108224 O\n0.641791 0.283582 0.368364 O\n0.382005 0.247842 0.126072 O\n0.619380 0.238762 0.868796 O\n0.865838 0.247843 0.126073 O\n0.365838 0.247844 0.626072 O\n0.881183 0.762368 0.130620 O\n0.381183 0.762368 0.630619 O\n0.143328 0.754699 0.872658 O\n0.119381 0.238762 0.368796 O\n0.882005 0.247843 0.626071 O\n0.643329 0.754701 0.372659 O\n",
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"structure_string": "Li4 V4 Ni4 O16\n1.0\n4.839407 0.000004 -0.000124\n-0.000005 5.940874 -0.000000\n0.000262 -0.000000 10.161987\nLi V Ni O\n4 4 4 16\ndirect\n1.000000 -0.000001 0.000001 Li\n0.500000 -0.000000 0.500000 Li\n1.000001 0.500000 0.000001 Li\n0.500001 0.500000 0.500001 Li\n0.428804 0.249999 0.094690 V\n0.071198 0.250000 0.594691 V\n0.928803 0.749999 0.405311 V\n0.571197 0.749999 0.905310 V\n0.003664 0.750000 0.734040 Ni\n0.996339 0.249999 0.265961 Ni\n0.496337 0.749999 0.234040 Ni\n0.503664 0.250000 0.765961 Ni\n0.772248 0.515047 0.331304 O\n0.727754 0.515047 0.831304 O\n0.227753 0.484951 0.668697 O\n0.272247 0.484950 0.168697 O\n0.227753 0.015048 0.668697 O\n0.272247 0.015048 0.168697 O\n0.213829 0.749999 0.905321 O\n0.293950 0.250000 0.937174 O\n0.713830 0.249999 0.594681 O\n0.786170 0.249999 0.094680 O\n0.706051 0.749999 0.062828 O\n0.793951 0.749999 0.562828 O\n0.772248 0.984951 0.331304 O\n0.206051 0.250000 0.437173 O\n0.286172 0.749999 0.405320 O\n0.727754 0.984951 0.831304 O\n",
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"structure_string": "Cd1 H14 C9 O4\n1.0\n4.057142 0.196317 0.482377\n1.391549 4.532208 -0.212011\n-0.359528 0.282863 12.759564\nCd H C O\n1 14 9 4\ndirect\n0.493375 0.269030 0.177079 Cd\n0.121124 0.652768 0.537090 H\n0.260485 0.043001 0.841627 H\n0.857174 0.029099 0.897390 H\n0.054587 0.100713 0.660082 H\n0.644127 0.095093 0.713163 H\n0.715554 0.643794 0.592821 H\n0.825645 0.163162 0.472490 H\n0.547240 0.506455 0.899244 H\n0.145418 0.531245 0.966147 H\n0.338303 0.586484 0.721805 H\n0.928025 0.580241 0.774823 H\n0.518932 0.671814 0.421798 H\n0.366528 0.026968 0.367743 H\n0.426463 0.167046 0.538173 H\n0.394635 0.810359 0.033451 C\n0.301533 0.668195 0.937745 C\n0.115941 0.888694 0.859903 C\n0.078276 0.731278 0.757435 C\n0.675134 0.017624 0.497162 C\n0.863660 0.795962 0.574527 C\n0.589758 0.866703 0.399147 C\n0.891021 0.764317 0.312803 C\n0.903804 0.950084 0.677342 C\n0.280156 0.096073 0.045966 O\n0.102350 0.496460 0.313415 O\n0.932704 0.945114 0.244971 O\n0.591643 0.648358 0.096336 O\n",
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},
{
"id": "jvasp-116907",
"created_at": "2022-09-04T14:38:47.040683Z",
"updated_at": "2022-09-04T14:38:47.040702Z",
"structure_string": "Na12 Co4 O12\n1.0\n4.728952 -0.000000 0.000002\n-0.000000 9.638098 0.000002\n-0.000000 -0.000000 8.407400\nNa Co O\n12 4 12\ndirect\n0.250000 0.605594 -0.000000 Na\n0.250000 0.105594 0.500000 Na\n0.749999 0.394406 -0.000000 Na\n0.749999 0.894406 0.500000 Na\n0.249999 0.381163 0.272798 Na\n0.250001 0.881165 0.772798 Na\n0.750002 0.618837 0.272798 Na\n0.749999 0.118836 0.772799 Na\n0.249999 0.381163 0.727201 Na\n0.250001 0.881162 0.227197 Na\n0.750000 0.618836 0.727203 Na\n0.750001 0.118837 0.227201 Na\n0.750000 0.318331 0.500000 Co\n0.250000 0.181668 -0.000000 Co\n0.750000 0.818334 -0.000000 Co\n0.250000 0.681667 0.500000 Co\n0.250002 0.366630 -0.000000 O\n0.250002 0.866630 0.500000 O\n0.750000 0.633371 -0.000000 O\n0.750001 0.133369 0.500000 O\n0.750000 0.371765 0.302747 O\n0.750000 0.871765 0.802751 O\n0.250000 0.628236 0.302753 O\n0.249999 0.128235 0.802748 O\n0.249999 0.628236 0.697247 O\n0.249999 0.128235 0.197252 O\n0.750000 0.371765 0.697253 O\n0.750000 0.871765 0.197248 O\n",
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"elements": [
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],
"chemical_system": "Co-Na-O",
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{
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"created_at": "2022-09-04T14:38:42.534125Z",
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"formula_full": "Ba4 Cr4 F20",
"formula_reduced": "BaCrF5",
"formula_anonymous": "ABC5",
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}