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{
"id": "jvasp-106920",
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"structure_string": "Na3 Y1 I6\n1.0\n7.374607 -0.000000 4.257731\n2.458202 6.952846 4.257731\n-0.000000 -0.000000 8.515463\nNa Y I\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.751937 0.248064 0.248063 I\n0.248063 0.248064 0.751936 I\n0.248063 0.751937 0.751936 I\n0.248063 0.751937 0.248063 I\n0.751937 0.248064 0.751936 I\n0.751937 0.751937 0.248063 I\n",
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{
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"structure_string": "Be1 Si2 Ge1\n1.0\n3.182640 -0.000000 -0.000000\n0.000000 3.182640 -0.000000\n-0.000000 -0.000000 6.461678\nBe Si Ge\n1 2 1\ndirect\n0.000000 0.000000 0.458919 Be\n0.000000 0.000000 0.090074 Si\n0.500000 0.500000 0.275497 Si\n0.500000 0.500000 0.675510 Ge\n",
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{
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"updated_at": "2022-09-04T14:38:48.159026Z",
"structure_string": "Li1 Br2\n1.0\n4.219697 0.713139 -0.046354\n-1.140942 -5.632288 -0.052105\n0.322959 3.260294 -3.415423\nLi Br\n1 2\ndirect\n-0.012117 0.031606 0.027075 Li\n0.132932 0.885436 0.381237 Br\n0.618170 0.400422 0.396326 Br\n",
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{
"id": "jvasp-25238",
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"structure_string": "C10\n1.0\n2.511463 0.005913 10.167315\n1.242136 2.182793 10.167315\n0.010140 0.005913 10.472901\nC\n10\ndirect\n0.574675 0.574671 0.574673 C\n0.841634 0.841628 0.841632 C\n0.108695 0.108695 0.108695 C\n0.024819 0.024818 0.024818 C\n0.891307 0.891302 0.891305 C\n0.975184 0.975178 0.975182 C\n0.425328 0.425325 0.425327 C\n0.374860 0.374858 0.374859 C\n0.158369 0.158368 0.158368 C\n0.625142 0.625138 0.625141 C\n",
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{
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"created_at": "2022-09-04T14:37:50.417920Z",
"updated_at": "2022-09-04T14:37:50.417944Z",
"structure_string": "Na12 Ga4 Se12\n1.0\n7.224569 0.000000 0.000000\n0.000000 7.478247 -0.096382\n0.000000 -0.033924 13.203503\nNa Ga Se\n12 4 12\ndirect\n0.470548 0.725617 0.785130 Na\n0.970548 0.774385 0.714870 Na\n0.529452 0.274384 0.214870 Na\n0.029452 0.225616 0.285130 Na\n0.499690 0.331557 0.607059 Na\n0.999690 0.168444 0.892940 Na\n0.500310 0.668444 0.392941 Na\n0.000310 0.831557 0.107060 Na\n0.499526 0.216192 0.899127 Na\n0.999526 0.283809 0.600872 Na\n0.500474 0.783809 0.100873 Na\n0.000474 0.716192 0.399127 Na\n0.642978 0.086250 0.416015 Ga\n0.142978 0.413750 0.083985 Ga\n0.357022 0.913751 0.583985 Ga\n0.857022 0.586251 0.916015 Ga\n0.703105 0.921940 0.572214 Se\n0.203105 0.578061 0.927786 Se\n0.296895 0.078061 0.427786 Se\n0.796895 0.421940 0.072214 Se\n0.255300 0.074674 0.731426 Se\n0.755300 0.425327 0.768574 Se\n0.744700 0.925327 0.268574 Se\n0.244700 0.574674 0.231426 Se\n0.740560 0.884254 0.926685 Se\n0.240560 0.615748 0.573315 Se\n0.259440 0.115747 0.073315 Se\n0.759440 0.384253 0.426685 Se\n",
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{
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"created_at": "2022-09-04T14:37:55.925144Z",
"updated_at": "2022-09-04T14:37:55.925154Z",
"structure_string": "K3 Co2 F7\n1.0\n3.984622 0.000000 -0.752442\n-0.142089 3.982087 -0.752442\n0.015813 0.016388 11.010417\nK Co F\n3 2 7\ndirect\n0.684750 0.684752 0.369504 K\n0.500000 0.500000 0.000000 K\n0.315248 0.315249 0.630497 K\n0.096579 0.096579 0.193158 Co\n0.903420 0.903422 0.806843 Co\n0.595194 0.095195 0.190390 F\n0.807420 0.807422 0.614842 F\n0.904804 0.404806 0.809611 F\n0.404804 0.904806 0.809611 F\n0.000000 0.000000 0.000000 F\n0.192579 0.192579 0.385158 F\n0.095194 0.595195 0.190390 F\n",
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{
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"created_at": "2022-09-04T14:37:48.889417Z",
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"structure_string": "C12\n1.0\n2.520883 -0.000000 0.000000\n-1.260441 2.183148 -0.000000\n0.000000 -0.000000 12.433786\nC\n12\ndirect\n0.666667 0.333333 0.354938 C\n0.333333 0.666668 0.854938 C\n0.666667 0.333333 0.020763 C\n0.333333 0.666668 0.645062 C\n0.333333 0.666668 0.979237 C\n0.000000 0.000000 0.686848 C\n0.666667 0.333333 0.479237 C\n0.333333 0.666668 0.520763 C\n0.000000 0.000000 0.313152 C\n0.666667 0.333333 0.145062 C\n0.000000 0.000000 0.813153 C\n0.000000 0.000000 0.186848 C\n",
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{
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"created_at": "2022-09-04T14:36:02.044531Z",
"updated_at": "2022-09-04T14:36:02.044553Z",
"structure_string": "Li4 Mn7 O2 F14\n1.0\n0.000000 -4.492220 -4.492220\n-4.294634 -0.199834 -4.292386\n8.965707 4.468017 -4.468017\nLi Mn O F\n4 7 2 14\ndirect\n0.634722 0.730557 0.100697 Li\n0.973617 0.052764 0.015518 Li\n0.151383 0.697236 0.609483 Li\n0.490278 0.019444 0.524304 Li\n0.562500 0.375001 0.812501 Mn\n0.847892 0.304215 0.546912 Mn\n0.562500 0.875001 0.812501 Mn\n0.062500 0.375001 0.812501 Mn\n0.562500 0.375000 0.312500 Mn\n0.277107 0.445786 0.078088 Mn\n0.062500 0.375000 0.312500 Mn\n0.424495 0.151008 0.721860 O\n0.700504 0.598993 0.903141 O\n0.194647 0.139876 0.439081 F\n0.169172 0.661657 0.948894 F\n0.955828 0.088344 0.676107 F\n0.939133 0.596085 0.669632 F\n0.464782 0.596085 0.669632 F\n0.665479 0.139876 0.439081 F\n0.930353 0.610125 0.185919 F\n0.198841 0.602318 0.426008 F\n0.426588 0.146827 0.184515 F\n0.698412 0.603174 0.440486 F\n0.459521 0.610125 0.185919 F\n0.185867 0.153916 0.955369 F\n0.926158 0.147682 0.198992 F\n0.660218 0.153916 0.955369 F\n",
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{
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"structure_string": "Li3 Co4 S8\n1.0\n-0.000000 -0.000000 -6.735094\n1.954695 6.202296 -3.367547\n5.833104 0.005952 -3.367547\nLi Co S\n3 4 8\ndirect\n0.356474 0.426537 0.359227 Li\n0.857761 0.426537 0.359227 Li\n0.356520 0.426527 0.860435 Li\n0.998734 0.999122 0.003411 Co\n0.996716 0.990449 0.508781 Co\n0.504053 0.990449 0.508781 Co\n0.504047 0.990492 0.001415 Co\n0.267651 0.193227 0.271471 S\n0.769414 0.187594 0.273578 S\n0.730312 0.807757 0.233719 S\n0.228212 0.807757 0.233719 S\n0.269766 0.187583 0.773230 S\n0.769421 0.187583 0.773230 S\n0.228193 0.807762 0.735853 S\n0.730183 0.803875 0.735760 S\n",
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"structure_string": "Nb4 Se4 O4 F28\n1.0\n7.046003 0.000000 0.000000\n-0.000000 7.793471 0.000000\n0.000000 0.000000 11.095696\nNb Se O F\n4 4 4 28\ndirect\n0.799577 0.750000 0.345578 Nb\n0.200423 0.250000 0.654422 Nb\n0.700423 0.750000 0.845578 Nb\n0.299577 0.250000 0.154422 Nb\n0.247651 0.750000 0.499645 Se\n0.747651 0.250000 0.000356 Se\n0.752348 0.250000 0.500356 Se\n0.252349 0.750000 0.999645 Se\n0.485056 0.750000 0.980401 O\n0.014944 0.750000 0.480401 O\n0.514943 0.250000 0.019599 O\n0.985056 0.250000 0.519599 O\n0.806276 0.085387 0.103356 F\n0.693723 0.085387 0.603356 F\n0.806276 0.414613 0.103356 F\n0.306277 0.585387 0.396645 F\n0.193446 0.001275 0.641022 F\n0.693446 0.998725 0.858978 F\n0.806554 0.501275 0.358978 F\n0.306554 0.498725 0.141022 F\n0.806554 0.998725 0.358978 F\n0.306554 0.001275 0.141022 F\n0.193446 0.498725 0.641022 F\n0.306277 0.914613 0.396645 F\n0.693446 0.501275 0.858978 F\n0.504966 0.250000 0.267033 F\n0.995033 0.250000 0.767033 F\n0.495033 0.750000 0.732967 F\n0.193723 0.914613 0.896645 F\n0.105789 0.250000 0.270897 F\n0.394211 0.250000 0.770897 F\n0.894211 0.750000 0.729103 F\n0.630864 0.750000 0.483621 F\n0.130864 0.250000 0.016380 F\n0.369135 0.250000 0.516380 F\n0.869135 0.750000 0.983621 F\n0.193723 0.585387 0.896645 F\n0.693723 0.414613 0.603356 F\n0.004967 0.750000 0.232967 F\n0.605788 0.750000 0.229103 F\n",
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{
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"structure_string": "Mn1 Ga2 S4\n1.0\n3.696195 0.000000 0.000000\n0.000000 6.183348 0.005388\n0.000000 -0.032967 6.701827\nMn Ga S\n1 2 4\ndirect\n0.000000 0.370494 0.352736 Mn\n0.499999 0.900488 0.144009 Ga\n0.499999 0.352057 0.831641 Ga\n0.000000 0.984737 0.342430 S\n0.000000 0.514586 0.681827 S\n0.499999 0.510711 0.156760 S\n0.499999 0.991926 0.824601 S\n",
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}