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{
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{
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"formula_full": "P4 C62 N6 O10",
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},
{
"id": "mp-743864",
"created_at": "2022-09-04T14:46:04.277893Z",
"structure_string": "Zr4 Fe4 F6\n1.0\n4.116720 5.190752 0.000000\n-4.116720 5.190752 0.000000\n0.000000 1.403040 5.602723\nZr Fe F\n4 4 6\ndirect\n0.115686 0.115686 0.850766 Zr\n0.327823 0.690388 0.528730 Zr\n0.690388 0.327823 0.528730 Zr\n0.718039 0.718039 0.882805 Zr\n0.047743 0.401511 0.210697 Fe\n0.751754 0.751754 0.383651 Fe\n0.019860 0.019860 0.429493 Fe\n0.401511 0.047743 0.210697 Fe\n0.337774 0.337774 0.703123 F\n0.560555 0.247077 0.265628 F\n0.247077 0.560555 0.265628 F\n0.353422 0.773690 0.865985 F\n0.773690 0.353422 0.865985 F\n0.902677 0.902677 0.008082 F\n",
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{
"id": "mp-1215723",
"created_at": "2022-09-04T14:44:26.023090Z",
"structure_string": "Zr1 Al6 Fe6\n1.0\n-2.477286 4.210008 4.270587\n2.477286 -4.210008 4.270587\n2.477286 4.210008 -4.270587\nZr Al Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.656324 0.656324 0.000000 Al\n0.343676 0.343676 0.000000 Al\n0.334898 0.000000 0.334898 Al\n0.665102 0.000000 0.665102 Al\n0.185629 0.685629 0.500000 Al\n0.814371 0.314371 0.500000 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.760473 0.500000 0.260473 Fe\n0.239527 0.500000 0.739527 Fe\n",
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{
"id": "mp-759299",
"created_at": "2022-09-04T14:42:45.663374Z",
"structure_string": "Li4 Mn2 P8 H32 O40\n1.0\n10.678538 0.000000 0.000000\n0.000000 7.182324 0.000000\n0.000000 5.215825 10.879262\nLi Mn P H O\n4 2 8 32 40\ndirect\n0.839945 0.203707 0.044358 Li\n0.339945 0.796293 0.455642 Li\n0.660055 0.203707 0.544358 Li\n0.160055 0.796293 0.955642 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.738711 0.684608 0.584012 P\n0.238711 0.315392 0.915988 P\n0.544601 0.037116 0.224771 P\n0.044601 0.962884 0.275229 P\n0.955399 0.037116 0.724771 P\n0.455399 0.962884 0.775229 P\n0.761289 0.684608 0.084012 P\n0.261289 0.315392 0.415988 P\n0.098219 0.744787 0.606598 H\n0.460184 0.667514 0.691120 H\n0.065639 0.481633 0.895975 H\n0.877526 0.506363 0.811990 H\n0.672932 0.465811 0.841557 H\n0.210443 0.137708 0.288041 H\n0.172932 0.534189 0.658443 H\n0.377526 0.493637 0.688010 H\n0.913540 0.910245 0.423932 H\n0.604516 0.899452 0.446184 H\n0.565639 0.518367 0.604025 H\n0.960184 0.332486 0.808880 H\n0.598219 0.255213 0.893402 H\n0.104516 0.100548 0.053816 H\n0.413540 0.089755 0.076068 H\n0.710443 0.862292 0.211959 H\n0.289557 0.137708 0.788041 H\n0.586460 0.910245 0.923932 H\n0.895484 0.899452 0.946184 H\n0.401781 0.744787 0.106598 H\n0.039816 0.667514 0.191120 H\n0.434361 0.481633 0.395975 H\n0.395484 0.100548 0.553816 H\n0.086460 0.089755 0.576068 H\n0.622474 0.506363 0.311990 H\n0.827068 0.465811 0.341557 H\n0.789557 0.862292 0.711959 H\n0.327068 0.534189 0.158443 H\n0.122474 0.493637 0.188010 H\n0.934361 0.518367 0.104025 H\n0.539816 0.332486 0.308880 H\n0.901781 0.255213 0.393402 H\n0.665118 0.895277 0.516878 O\n0.757287 0.649201 0.717804 O\n0.155866 0.495639 0.921532 O\n0.526056 0.266252 0.187822 O\n0.437829 0.601872 0.635404 O\n0.140315 0.647100 0.581122 O\n0.860297 0.696626 0.515639 O\n0.360297 0.303374 0.984361 O\n0.640315 0.352900 0.918878 O\n0.937829 0.398128 0.864596 O\n0.959818 0.034169 0.359086 O\n0.187083 0.988860 0.305156 O\n0.655866 0.504361 0.578468 O\n0.014088 0.105700 0.141249 O\n0.257287 0.350799 0.782196 O\n0.514088 0.894300 0.358751 O\n0.687083 0.011140 0.194844 O\n0.165118 0.104723 0.983122 O\n0.459818 0.965831 0.140914 O\n0.973944 0.266252 0.687822 O\n0.026056 0.733748 0.312178 O\n0.540182 0.034169 0.859086 O\n0.834882 0.895277 0.016878 O\n0.312917 0.988860 0.805156 O\n0.485912 0.105700 0.641249 O\n0.742713 0.649201 0.217804 O\n0.985912 0.894300 0.858751 O\n0.344134 0.495639 0.421532 O\n0.812917 0.011140 0.694844 O\n0.040182 0.965831 0.640914 O\n0.062171 0.601872 0.135404 O\n0.359685 0.647100 0.081122 O\n0.639703 0.696626 0.015639 O\n0.139703 0.303374 0.484361 O\n0.859685 0.352900 0.418878 O\n0.562171 0.398128 0.364596 O\n0.473944 0.733748 0.812178 O\n0.844134 0.504361 0.078468 O\n0.242713 0.350799 0.282196 O\n0.334882 0.104723 0.483122 O\n",
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"formula_full": "Li4 Mn2 P8 H32 O40",
"formula_reduced": "Li2MnP4(H4O5)4",
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{
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"structure_string": "Cs4 Mn2 Te4 S12\n1.0\n3.515406 -6.088861 0.000000\n3.515406 6.088861 0.000000\n0.000000 0.000000 16.267018\nCs Mn Te S\n4 2 4 12\ndirect\n0.666667 0.333333 0.797599 Cs\n0.666667 0.333333 0.297599 Cs\n0.333333 0.666667 0.202401 Cs\n0.333333 0.666667 0.702401 Cs\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.960237 Te\n0.333333 0.666667 0.460237 Te\n0.666667 0.333333 0.039763 Te\n0.666667 0.333333 0.539763 Te\n0.114841 0.794479 0.894978 S\n0.679637 0.885159 0.894978 S\n0.205521 0.320363 0.894978 S\n0.114841 0.320363 0.394978 S\n0.205521 0.885159 0.394978 S\n0.679637 0.794479 0.394978 S\n0.885159 0.205521 0.105022 S\n0.320363 0.114841 0.105022 S\n0.794479 0.679637 0.105022 S\n0.885159 0.679637 0.605022 S\n0.794479 0.114841 0.605022 S\n0.320363 0.205521 0.605022 S\n",
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{
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"structure_string": "Ca1 Sm4 V4 O12\n1.0\n5.837774 0.394774 -0.080884\n0.432328 6.125861 -0.074049\n-0.112575 -0.085038 7.724864\nCa Sm V O\n1 4 4 12\ndirect\n0.883480 0.297262 0.328708 Ca\n0.037293 0.438740 0.749080 Sm\n0.141806 0.628242 0.209789 Sm\n0.456114 0.069392 0.256607 Sm\n0.509321 0.926803 0.748983 Sm\n0.971520 0.920230 0.531643 V\n0.488407 0.500507 0.512878 V\n0.976865 0.009731 0.989006 V\n0.570209 0.508393 0.988083 V\n0.311501 0.817498 0.448800 O\n0.661413 0.159844 0.539876 O\n0.779868 0.645820 0.555713 O\n0.205453 0.356561 0.458363 O\n0.841850 0.707927 0.930179 O\n0.121158 0.284218 0.082628 O\n0.330437 0.831836 0.045917 O\n0.666419 0.172955 0.951144 O\n0.880504 0.946610 0.248502 O\n0.107791 0.054074 0.755615 O\n0.392373 0.556525 0.752581 O\n0.535266 0.448083 0.249237 O\n",
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{
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"structure_string": "Pr3 Co9\n1.0\n4.893391 0.009631 7.392327\n2.232186 4.354619 7.392327\n0.015725 0.009631 8.865187\nPr Co\n3 9\ndirect\n0.860357 0.860357 0.860357 Pr\n0.139643 0.139643 0.139643 Pr\n0.000000 0.000000 0.000000 Pr\n0.917909 0.422440 0.422440 Co\n0.333758 0.333758 0.333758 Co\n0.577560 0.577560 0.082091 Co\n0.422440 0.422440 0.917909 Co\n0.666242 0.666242 0.666242 Co\n0.422440 0.917909 0.422440 Co\n0.577560 0.082091 0.577560 Co\n0.500000 0.500000 0.500000 Co\n0.082091 0.577560 0.577560 Co\n",
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