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{
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{
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{
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"structure_string": "Mn4 I8 O24\n1.0\n5.460386 0.000000 0.000000\n0.000000 6.831790 0.000000\n0.000000 0.000000 14.965346\nMn I O\n4 8 24\ndirect\n0.750000 0.145079 0.000000 Mn\n0.250000 0.854921 0.000000 Mn\n0.250000 0.354921 0.500000 Mn\n0.750000 0.645079 0.500000 Mn\n0.248232 0.287197 0.151624 I\n0.748232 0.712803 0.151624 I\n0.748232 0.212803 0.348376 I\n0.248232 0.787197 0.348376 I\n0.751768 0.212803 0.651624 I\n0.251768 0.787197 0.651624 I\n0.251768 0.287197 0.848376 I\n0.751768 0.712803 0.848376 I\n0.410844 0.107232 0.078881 O\n0.910844 0.892768 0.078881 O\n0.971264 0.336992 0.083626 O\n0.471264 0.663008 0.083626 O\n0.627414 0.373633 0.262439 O\n0.127414 0.626367 0.262439 O\n0.127414 0.126367 0.237561 O\n0.627414 0.873633 0.237561 O\n0.471264 0.163008 0.416374 O\n0.971264 0.836992 0.416374 O\n0.910844 0.392768 0.421119 O\n0.410844 0.607232 0.421119 O\n0.589156 0.392768 0.578881 O\n0.089156 0.607232 0.578881 O\n0.028736 0.163008 0.583626 O\n0.528736 0.836992 0.583626 O\n0.372586 0.126367 0.762439 O\n0.872586 0.873633 0.762439 O\n0.872586 0.373633 0.737561 O\n0.372586 0.626367 0.737561 O\n0.528736 0.336992 0.916374 O\n0.028736 0.663008 0.916374 O\n0.089156 0.107232 0.921119 O\n0.589156 0.892768 0.921119 O\n",
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"volume": 558.2704169544401,
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"spacegroup": 60
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{
"id": "mp-759663",
"created_at": "2022-09-04T14:39:15.598597Z",
"structure_string": "Li4 V2 Cr2 P8 O28\n1.0\n8.220760 0.000000 0.000000\n0.000000 7.023518 0.000000\n0.000000 3.127252 9.221486\nLi V Cr P O\n4 2 2 8 28\ndirect\n0.863099 0.676719 0.911478 Li\n0.363055 0.322840 0.588105 Li\n0.863055 0.677160 0.411895 Li\n0.363099 0.323281 0.088522 Li\n0.999488 0.271138 0.608095 V\n0.499488 0.728862 0.391905 V\n0.500000 0.727994 0.892941 Cr\n0.000000 0.272006 0.107059 Cr\n0.180607 0.522939 0.800439 P\n0.783056 0.085593 0.894537 P\n0.284753 0.914143 0.606846 P\n0.679735 0.478735 0.700494 P\n0.179735 0.521265 0.299506 P\n0.784753 0.085857 0.393154 P\n0.283056 0.914407 0.105463 P\n0.680607 0.477061 0.199561 P\n0.323269 0.854370 0.973029 O\n0.693152 0.883955 0.934566 O\n0.037969 0.481570 0.907106 O\n0.346296 0.509255 0.876150 O\n0.678365 0.606668 0.801469 O\n0.434785 0.916189 0.699830 O\n0.151778 0.753451 0.702679 O\n0.651740 0.246456 0.797284 O\n0.933652 0.080487 0.802089 O\n0.179715 0.394295 0.699478 O\n0.844135 0.494935 0.623990 O\n0.537098 0.517683 0.593301 O\n0.323192 0.851261 0.474695 O\n0.696638 0.884623 0.435083 O\n0.196638 0.115377 0.564917 O\n0.823192 0.148739 0.525305 O\n0.037098 0.482317 0.406699 O\n0.344135 0.505065 0.376010 O\n0.679715 0.605705 0.300522 O\n0.433652 0.919513 0.197911 O\n0.151740 0.753544 0.202716 O\n0.651778 0.246549 0.297321 O\n0.934785 0.083811 0.300170 O\n0.178365 0.393332 0.198531 O\n0.846296 0.490745 0.123850 O\n0.537969 0.518430 0.092894 O\n0.193152 0.116045 0.065434 O\n0.823269 0.145630 0.026971 O\n",
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"formula_full": "Li4 V2 Cr2 P8 O28",
"formula_reduced": "Li2VCr(P2O7)2",
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"energy": -345.89033667,
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{
"id": "mp-768637",
"created_at": "2022-09-04T14:39:15.606582Z",
"structure_string": "V8 S4 O32\n1.0\n5.902495 0.000000 0.000000\n0.000000 10.764687 0.000000\n0.000000 0.000000 13.056137\nV S O\n8 4 32\ndirect\n0.199990 0.166141 0.588409 V\n0.199990 0.166141 0.911591 V\n0.300010 0.666141 0.088409 V\n0.300010 0.666141 0.411591 V\n0.699990 0.333859 0.588409 V\n0.699990 0.333859 0.911591 V\n0.800010 0.833859 0.088409 V\n0.800010 0.833859 0.411591 V\n0.971523 0.041249 0.250000 S\n0.528477 0.541249 0.750000 S\n0.471523 0.458751 0.250000 S\n0.028477 0.958751 0.750000 S\n0.030907 0.735281 0.123219 O\n0.030907 0.735281 0.376781 O\n0.079324 0.829587 0.750000 O\n0.161078 0.018341 0.655619 O\n0.161078 0.018341 0.844381 O\n0.196068 0.139269 0.032458 O\n0.196068 0.139269 0.467542 O\n0.302141 0.493591 0.750000 O\n0.197859 0.993591 0.250000 O\n0.303932 0.639269 0.967542 O\n0.303932 0.639269 0.532458 O\n0.338922 0.518341 0.155619 O\n0.338922 0.518341 0.344381 O\n0.420676 0.329587 0.250000 O\n0.469093 0.235281 0.623219 O\n0.469093 0.235281 0.876781 O\n0.530907 0.764719 0.123219 O\n0.530907 0.764719 0.376781 O\n0.579324 0.670413 0.750000 O\n0.661078 0.481659 0.655619 O\n0.661078 0.481659 0.844381 O\n0.696068 0.360731 0.032458 O\n0.696068 0.360731 0.467542 O\n0.802141 0.006409 0.750000 O\n0.697859 0.506409 0.250000 O\n0.803932 0.860731 0.532458 O\n0.803932 0.860731 0.967542 O\n0.838922 0.981659 0.155619 O\n0.838922 0.981659 0.344381 O\n0.920676 0.170413 0.250000 O\n0.969093 0.264719 0.623219 O\n0.969093 0.264719 0.876781 O\n",
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},
{
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"created_at": "2022-09-04T14:39:15.610301Z",
"structure_string": "Li4 Co4 As4 O16\n1.0\n-4.182051 -0.062942 -4.111642\n4.055712 -8.299107 -4.111601\n-0.063175 -4.181107 4.111710\nLi Co As O\n4 4 4 16\ndirect\n0.000500 0.000292 0.499063 Li\n0.499500 0.499708 0.500937 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.250000 0.750000 0.000000 Co\n0.750000 0.750000 0.500000 Co\n0.750000 0.250000 0.000000 Co\n0.250000 0.250000 0.500000 Co\n0.315273 0.065249 0.119462 As\n0.815295 0.565543 0.119027 As\n0.184727 0.434751 0.880538 As\n0.684705 0.934457 0.880973 As\n0.874187 0.380626 0.244768 O\n0.372740 0.881297 0.245870 O\n0.131237 0.122552 0.246022 O\n0.630485 0.624112 0.245249 O\n0.625813 0.119374 0.755232 O\n0.127260 0.618703 0.754130 O\n0.368763 0.377448 0.753977 O\n0.869515 0.875888 0.754751 O\n0.133692 0.123574 0.762770 O\n0.633967 0.623785 0.762893 O\n0.613682 0.123439 0.243101 O\n0.113257 0.623721 0.242286 O\n0.366308 0.376425 0.237230 O\n0.866033 0.876215 0.237107 O\n0.886318 0.376561 0.756899 O\n0.386744 0.876279 0.757714 O\n",
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"formula_full": "Li4 Co4 As4 O16",
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{
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"structure_string": "Ca2 Cu4 Ge8 O24\n1.0\n9.150105 0.000000 0.000000\n0.000000 5.290211 0.000000\n0.000000 2.581924 9.878819\nCa Cu Ge O\n2 4 8 24\ndirect\n0.551163 0.766482 0.288928 Ca\n0.051163 0.233518 0.711072 Ca\n0.339829 0.259775 0.230118 Cu\n0.839829 0.740225 0.769882 Cu\n0.650935 0.252064 0.766849 Cu\n0.150935 0.747936 0.233151 Cu\n0.652849 0.390354 0.052580 Ge\n0.152849 0.609646 0.947420 Ge\n0.352981 0.111696 0.945982 Ge\n0.852981 0.888304 0.054018 Ge\n0.646997 0.165660 0.490739 Ge\n0.146997 0.834340 0.509261 Ge\n0.347958 0.331643 0.513520 Ge\n0.847958 0.668357 0.486480 Ge\n0.733569 0.932255 0.408036 O\n0.233569 0.067745 0.591964 O\n0.247961 0.551444 0.598155 O\n0.747961 0.448556 0.401845 O\n0.697282 0.048906 0.107159 O\n0.197282 0.951094 0.892841 O\n0.300582 0.442233 0.894757 O\n0.800582 0.557767 0.105243 O\n0.026044 0.599555 0.432202 O\n0.526044 0.400445 0.567798 O\n0.971553 0.901872 0.580559 O\n0.471553 0.098128 0.419441 O\n0.005719 0.966336 0.138726 O\n0.505719 0.033664 0.861274 O\n0.002977 0.531031 0.854786 O\n0.502977 0.468969 0.145214 O\n0.644980 0.487520 0.873270 O\n0.144980 0.512480 0.126730 O\n0.368986 0.013973 0.127765 O\n0.868986 0.986027 0.872235 O\n0.692385 0.999089 0.669121 O\n0.192385 0.000911 0.330879 O\n0.311686 0.514877 0.332349 O\n0.811686 0.485123 0.667651 O\n",
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{
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"structure_string": "Sr6 Li2\n1.0\n4.056500 -7.026064 0.000000\n4.056500 7.026064 0.000000\n0.000000 0.000000 6.596997\nSr Li\n6 2\ndirect\n0.169759 0.339518 0.250000 Sr\n0.660482 0.830241 0.250000 Sr\n0.169759 0.830241 0.250000 Sr\n0.830241 0.660482 0.750000 Sr\n0.339518 0.169759 0.750000 Sr\n0.830241 0.169759 0.750000 Sr\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n",
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{
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},
{
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"created_at": "2022-09-04T14:39:15.636811Z",
"structure_string": "Er2 Cr1 Ge4\n1.0\n0.000000 0.000000 4.288399\n4.315270 0.000000 0.000000\n2.157635 7.642966 0.000000\nEr Cr Ge\n2 1 4\ndirect\n0.250000 0.598609 0.802783 Er\n0.750000 0.396637 0.206726 Er\n0.250000 0.792726 0.414548 Cr\n0.250000 0.947519 0.104962 Ge\n0.750000 0.058196 0.883608 Ge\n0.250000 0.241960 0.516079 Ge\n0.750000 0.747153 0.505694 Ge\n",
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"formula_full": "Er2 Cr1 Ge4",
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{
"id": "mp-1184757",
"created_at": "2022-09-04T14:39:15.665905Z",
"structure_string": "K2 Cd1 Au1\n1.0\n0.000000 4.155040 4.155040\n4.155040 0.000000 4.155040\n4.155040 4.155040 0.000000\nK Cd Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Au\n",
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},
{
"id": "mp-776740",
"created_at": "2022-09-04T14:39:15.679747Z",
"structure_string": "Li4 Mn2 W2 O12\n1.0\n2.399373 -1.603831 -4.193142\n0.000427 2.885584 -4.192990\n8.273449 1.536676 4.145861\nLi Mn W O\n4 2 2 12\ndirect\n0.357944 0.284094 0.926082 Li\n0.857976 0.284035 0.426024 Li\n0.608070 0.783945 0.175859 Li\n0.108092 0.783904 0.675836 Li\n0.999704 0.000602 0.000858 Mn\n0.499752 0.000506 0.500910 Mn\n0.249827 0.500178 0.250465 W\n0.749836 0.500177 0.750453 W\n0.747054 0.740690 0.616648 O\n0.247001 0.740786 0.116649 O\n0.012291 0.363669 0.116659 O\n0.512336 0.363627 0.616663 O\n0.624051 0.129025 0.116664 O\n0.124053 0.128990 0.616663 O\n0.369388 0.866786 0.866702 O\n0.869322 0.866862 0.366729 O\n0.999979 0.630604 0.866753 O\n0.500078 0.630566 0.366780 O\n0.263820 0.236050 0.366709 O\n0.763824 0.236105 0.866696 O\n",
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]
}