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{
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"structure_string": "Er4 Sc4 S12\n1.0\n6.353452 0.000000 0.000000\n0.000000 6.970915 0.000000\n0.000000 0.000000 9.539495\nEr Sc S\n4 4 12\ndirect\n0.458558 0.601126 0.508138 Er\n0.541442 0.398874 0.008138 Er\n0.958558 0.898874 0.008138 Er\n0.041442 0.101126 0.508138 Er\n0.996496 0.504016 0.261816 Sc\n0.003504 0.495984 0.761816 Sc\n0.496496 0.995984 0.761816 Sc\n0.503504 0.004016 0.261816 Sc\n0.173827 0.813655 0.684260 S\n0.826173 0.186345 0.184260 S\n0.673827 0.686345 0.184260 S\n0.326173 0.313655 0.684260 S\n0.176878 0.818966 0.330388 S\n0.823122 0.181034 0.830388 S\n0.676878 0.681034 0.830388 S\n0.323122 0.318966 0.330388 S\n0.147099 0.549812 0.010398 S\n0.852901 0.450188 0.510398 S\n0.647099 0.950188 0.510398 S\n0.352901 0.049812 0.010398 S\n",
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{
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"volume": 539.3122693004647,
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"formula_full": "Li4 Mn1 V3 P8 O28",
"formula_reduced": "Li4MnV3(P2O7)4",
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"spacegroup": 1
},
{
"id": "mp-16978",
"created_at": "2022-09-04T14:48:05.818208Z",
"structure_string": "Ba6 Mg2 Sb4 O18\n1.0\n2.966943 -5.138896 0.000000\n2.966943 5.138896 0.000000\n0.000000 0.000000 14.658418\nBa Mg Sb O\n6 2 4 18\ndirect\n0.333333 0.666667 0.587909 Ba\n0.666667 0.333333 0.087909 Ba\n0.666667 0.333333 0.412091 Ba\n0.333333 0.666667 0.912091 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.651497 Sb\n0.333333 0.666667 0.151497 Sb\n0.666667 0.333333 0.848503 Sb\n0.333333 0.666667 0.348503 Sb\n0.169091 0.830909 0.083694 O\n0.169091 0.338181 0.083694 O\n0.661819 0.830909 0.083694 O\n0.338181 0.169091 0.583694 O\n0.830909 0.661819 0.916306 O\n0.830909 0.169091 0.583694 O\n0.830909 0.661819 0.583694 O\n0.169091 0.830909 0.416306 O\n0.661819 0.830909 0.416306 O\n0.338181 0.169091 0.916306 O\n0.830909 0.169091 0.916306 O\n0.169091 0.338181 0.416306 O\n0.481674 0.963349 0.250000 O\n0.518326 0.481674 0.750000 O\n0.963349 0.481674 0.750000 O\n0.036651 0.518326 0.250000 O\n0.481674 0.518326 0.250000 O\n0.518326 0.036651 0.750000 O\n",
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"spacegroup": 194
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{
"id": "mp-762507",
"created_at": "2022-09-04T14:48:05.819617Z",
"structure_string": "Li4 Cr2 Ni2 O8\n1.0\n-2.914502 2.924179 4.141943\n2.914502 -2.924179 4.141943\n2.914502 2.924179 -4.141943\nLi Cr Ni O\n4 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.746635 0.762471 0.984164 O\n0.750863 0.232014 0.981151 O\n0.278306 0.762471 0.515836 O\n0.750863 0.769712 0.518849 O\n0.249137 0.230288 0.481151 O\n0.721694 0.237529 0.484164 O\n0.249137 0.767986 0.018849 O\n0.253365 0.237529 0.015836 O\n",
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{
"id": "mp-19291",
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"structure_string": "Na4 V4 P4 O20\n1.0\n8.579397 0.000000 0.000000\n0.000000 6.631002 0.000000\n0.000000 2.992716 6.451699\nNa V P O\n4 4 4 20\ndirect\n0.585989 0.746987 0.282201 Na\n0.085989 0.253013 0.217799 Na\n0.414011 0.253013 0.717799 Na\n0.914011 0.746987 0.782201 Na\n0.259532 0.753530 0.019025 V\n0.759532 0.246470 0.480975 V\n0.740468 0.246470 0.980975 V\n0.240468 0.753530 0.519025 V\n0.433958 0.249998 0.249121 P\n0.933958 0.750002 0.250879 P\n0.566042 0.750002 0.750879 P\n0.066042 0.249998 0.749121 P\n0.317414 0.748534 0.253107 O\n0.817414 0.251466 0.246893 O\n0.682586 0.251466 0.746893 O\n0.182586 0.748534 0.753107 O\n0.820445 0.926640 0.101327 O\n0.320445 0.073360 0.398673 O\n0.179555 0.073360 0.898673 O\n0.679555 0.926640 0.601327 O\n0.037240 0.855862 0.366112 O\n0.537240 0.144138 0.133888 O\n0.962760 0.144138 0.633888 O\n0.462760 0.855862 0.866112 O\n0.328774 0.436261 0.094115 O\n0.828774 0.563739 0.405885 O\n0.671226 0.563739 0.905885 O\n0.171226 0.436261 0.594115 O\n0.039012 0.654194 0.127875 O\n0.539012 0.345806 0.372125 O\n0.960988 0.345806 0.872125 O\n0.460988 0.654194 0.627875 O\n",
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{
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{
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"structure_string": "Lu1 Ru1\n1.0\n3.332703 0.000000 0.000000\n0.000000 3.332703 0.000000\n0.000000 0.000000 3.332703\nLu Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ru\n",
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{
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