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{
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{
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n6.882053 7.077284 0.000000\n-6.882053 7.077284 0.000000\n0.000000 0.832935 9.901021\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.978694 0.550350 0.757037 Li\n0.139977 0.237246 0.820065 Li\n0.728341 0.575062 0.887962 Li\n0.653923 0.062103 0.978224 Li\n0.937897 0.346077 0.021776 Li\n0.424938 0.271659 0.112038 Li\n0.762754 0.860023 0.179935 Li\n0.449650 0.021306 0.242963 Li\n0.561661 0.733560 0.391205 Li\n0.364822 0.956498 0.517474 Li\n0.043502 0.635178 0.482526 Li\n0.266440 0.438339 0.608795 Li\n0.026722 0.973278 0.000000 Mn\n0.736951 0.465432 0.278112 Mn\n0.753620 0.246380 0.500000 Mn\n0.534568 0.263049 0.721888 Mn\n0.473129 0.758321 0.781266 V\n0.246980 0.753020 0.000000 V\n0.241679 0.526871 0.218734 V\n0.971833 0.028167 0.500000 V\n0.852037 0.166991 0.798501 P\n0.331115 0.456481 0.897602 P\n0.362945 0.053429 0.921028 P\n0.946571 0.637055 0.078972 P\n0.543519 0.668885 0.102398 P\n0.833009 0.147963 0.201499 P\n0.180604 0.846437 0.299393 P\n0.448865 0.324173 0.393673 P\n0.045220 0.344588 0.424863 P\n0.655412 0.954780 0.575137 P\n0.675827 0.551135 0.606327 P\n0.153563 0.819396 0.700607 P\n0.418207 0.118541 0.782081 O\n0.225877 0.407370 0.805783 O\n0.123182 0.822333 0.857528 O\n0.333083 0.617171 0.872803 O\n0.699203 0.202168 0.831992 O\n0.473315 0.394254 0.864090 O\n0.946308 0.275195 0.842872 O\n0.878111 0.025839 0.865440 O\n0.382524 0.893390 0.915850 O\n0.211448 0.091066 0.935153 O\n0.580331 0.702723 0.948890 O\n0.905600 0.550998 0.964282 O\n0.106610 0.617476 0.084150 O\n0.449002 0.094400 0.035718 O\n0.297277 0.419669 0.051110 O\n0.908934 0.788552 0.064847 O\n0.382829 0.666917 0.127197 O\n0.177667 0.876818 0.142472 O\n0.605746 0.526685 0.135910 O\n0.974161 0.121889 0.134560 O\n0.724805 0.053692 0.157128 O\n0.592630 0.774123 0.194217 O\n0.797832 0.300797 0.168008 O\n0.881459 0.581793 0.217919 O\n0.107218 0.385046 0.283716 O\n0.174233 0.688611 0.330993 O\n0.306575 0.908744 0.347876 O\n0.414763 0.207503 0.309450 O\n0.046438 0.906680 0.366884 O\n0.381491 0.460237 0.342150 O\n0.838462 0.120362 0.361375 O\n0.609963 0.340663 0.373179 O\n0.693821 0.588146 0.452201 O\n0.073650 0.187259 0.454724 O\n0.568458 0.905277 0.467100 O\n0.885557 0.371748 0.424957 O\n0.094723 0.431542 0.532900 O\n0.812741 0.926350 0.545276 O\n0.411854 0.306179 0.547799 O\n0.628252 0.114443 0.575043 O\n0.093320 0.953562 0.633116 O\n0.091256 0.693425 0.652124 O\n0.539763 0.618509 0.657850 O\n0.311389 0.825767 0.669007 O\n0.659337 0.390037 0.626821 O\n0.792497 0.585237 0.690550 O\n0.879638 0.161538 0.638625 O\n0.614954 0.892782 0.716284 O\n",
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"volume": 964.4830811136281,
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"formula_full": "Li12 Mn4 V4 P12 O48",
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"spacegroup": 5
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{
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"structure_string": "Mg3 Ga1\n1.0\n1.585740 -2.746581 0.000000\n1.585740 2.746581 0.000000\n0.000000 0.000000 9.776030\nMg Ga\n3 1\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.742466 Mg\n0.000000 0.000000 0.257534 Mg\n0.666667 0.333333 0.500000 Ga\n",
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{
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"created_at": "2022-09-04T14:39:25.204271Z",
"structure_string": "Ca4 La6 Si6 O26\n1.0\n4.873970 -8.441963 0.000000\n4.873970 8.441963 0.000000\n0.000000 0.000000 7.136032\nCa La Si O\n4 6 6 26\ndirect\n0.333333 0.666667 0.003389 Ca\n0.666667 0.333333 0.996611 Ca\n0.666667 0.333333 0.503389 Ca\n0.333333 0.666667 0.496611 Ca\n0.759920 0.748255 0.750000 La\n0.240080 0.251745 0.250000 La\n0.988335 0.240080 0.750000 La\n0.011665 0.759920 0.250000 La\n0.251745 0.011665 0.750000 La\n0.748255 0.988335 0.250000 La\n0.597671 0.969680 0.750000 Si\n0.402329 0.030320 0.250000 Si\n0.372009 0.402329 0.750000 Si\n0.627991 0.597671 0.250000 Si\n0.030320 0.627991 0.750000 Si\n0.969680 0.372009 0.250000 Si\n0.403092 0.871016 0.750000 O\n0.596908 0.128984 0.250000 O\n0.467924 0.596908 0.750000 O\n0.532076 0.403092 0.250000 O\n0.128984 0.532076 0.750000 O\n0.871016 0.467924 0.250000 O\n0.660711 0.910613 0.931716 O\n0.339289 0.089387 0.068284 O\n0.249902 0.339289 0.931716 O\n0.339289 0.089387 0.431716 O\n0.750098 0.660711 0.068284 O\n0.660711 0.910613 0.568284 O\n0.089387 0.750098 0.931716 O\n0.750098 0.660711 0.431716 O\n0.910613 0.249902 0.068284 O\n0.249902 0.339289 0.568284 O\n0.910613 0.249902 0.431716 O\n0.089387 0.750098 0.568284 O\n0.838252 0.512157 0.750000 O\n0.161748 0.487843 0.250000 O\n0.673904 0.161748 0.750000 O\n0.326096 0.838252 0.250000 O\n0.487843 0.326096 0.750000 O\n0.512157 0.673904 0.250000 O\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n",
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{
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"structure_string": "La10 Fe8 Ni2 O30\n1.0\n2.777192 4.866141 0.000000\n-2.777192 4.866141 0.000000\n0.000000 3.204502 22.959062\nLa Fe Ni O\n10 8 2 30\ndirect\n0.746805 0.746805 0.748645 La\n0.945089 0.945089 0.153273 La\n0.345583 0.345583 0.951755 La\n0.147180 0.147180 0.551283 La\n0.545795 0.545795 0.355023 La\n0.454205 0.454205 0.644977 La\n0.654417 0.654417 0.048245 La\n0.054911 0.054911 0.846727 La\n0.852820 0.852820 0.448717 La\n0.253195 0.253195 0.251355 La\n0.599670 0.599670 0.200892 Fe\n0.000000 0.000000 0.000000 Fe\n0.400330 0.400330 0.799108 Fe\n0.500000 0.500000 0.500000 Fe\n0.899933 0.899933 0.301299 Fe\n0.299601 0.299601 0.100784 Fe\n0.700399 0.700399 0.899216 Fe\n0.100067 0.100067 0.698701 Fe\n0.799828 0.799828 0.599718 Ni\n0.200172 0.200172 0.400282 Ni\n0.279225 0.781445 0.760112 O\n0.479956 0.979428 0.160339 O\n0.879817 0.381346 0.960215 O\n0.679533 0.180151 0.558481 O\n0.080113 0.580151 0.359027 O\n0.419849 0.919887 0.640973 O\n0.618654 0.120183 0.039785 O\n0.020572 0.520044 0.839661 O\n0.819849 0.320467 0.441519 O\n0.218555 0.720775 0.239888 O\n0.919887 0.419849 0.640973 O\n0.120183 0.618654 0.039785 O\n0.520044 0.020572 0.839661 O\n0.320467 0.819849 0.441519 O\n0.720775 0.218555 0.239888 O\n0.781445 0.279225 0.760112 O\n0.979428 0.479956 0.160339 O\n0.381346 0.879817 0.960215 O\n0.180151 0.679533 0.558481 O\n0.580151 0.080113 0.359027 O\n0.680029 0.680029 0.532111 O\n0.081888 0.081888 0.332194 O\n0.486056 0.486056 0.132142 O\n0.886805 0.886805 0.931665 O\n0.286569 0.286569 0.731842 O\n0.319971 0.319971 0.467889 O\n0.713431 0.713431 0.268158 O\n0.113195 0.113195 0.068335 O\n0.513944 0.513944 0.867858 O\n0.918112 0.918112 0.667806 O\n",
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{
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{
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"structure_string": "Th1 U1 H8 C8 O20\n1.0\n4.340819 -5.463779 0.000000\n4.340819 5.463779 0.000000\n0.000000 0.000000 9.611953\nTh U H C O\n1 1 8 8 20\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.861430 0.289987 0.452710 H\n0.138570 0.710013 0.452710 H\n0.289987 0.861430 0.547290 H\n0.710013 0.138570 0.547290 H\n0.636841 0.211101 0.047125 H\n0.363159 0.788899 0.047125 H\n0.211101 0.636841 0.952875 H\n0.788899 0.363159 0.952875 H\n0.652854 0.764573 0.218662 C\n0.347146 0.235427 0.218662 C\n0.764573 0.652854 0.781338 C\n0.235427 0.347146 0.781338 C\n0.843914 0.732850 0.283759 C\n0.156086 0.267150 0.283759 C\n0.732850 0.843914 0.716241 C\n0.267150 0.156086 0.716241 C\n0.826666 0.638185 0.398151 O\n0.173334 0.361815 0.398151 O\n0.638185 0.826666 0.601849 O\n0.361815 0.173334 0.601849 O\n0.665972 0.857142 0.103746 O\n0.334028 0.142858 0.103746 O\n0.857142 0.665972 0.896254 O\n0.142858 0.334028 0.896254 O\n0.734065 0.265935 0.500000 O\n0.265935 0.734065 0.500000 O\n0.764647 0.235353 0.000000 O\n0.235353 0.764647 0.000000 O\n0.496686 0.694911 0.284695 O\n0.503314 0.305089 0.284695 O\n0.694911 0.496686 0.715305 O\n0.305089 0.503314 0.715305 O\n0.001780 0.802164 0.220149 O\n0.998220 0.197836 0.220149 O\n0.802164 0.001780 0.779851 O\n0.197836 0.998220 0.779851 O\n",
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{
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{
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}