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{
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"structure_string": "K4 Al4 Si6 O20\n1.0\n0.000000 8.647621 9.275398\n3.327013 0.000000 9.275398\n3.327013 8.647621 0.000000\nK Al Si O\n4 4 6 20\ndirect\n0.967506 0.157633 0.614810 K\n0.260052 0.614810 0.157633 K\n0.635190 0.989948 0.282494 K\n0.092367 0.282494 0.989948 K\n0.573849 0.730526 0.996575 Al\n0.699050 0.996575 0.730526 Al\n0.253425 0.550950 0.676151 Al\n0.519474 0.676151 0.550950 Al\n0.255189 0.244811 0.244811 Si\n0.005189 0.994811 0.994811 Si\n0.551797 0.504831 0.236794 Si\n0.706579 0.236794 0.504831 Si\n0.013206 0.543421 0.698203 Si\n0.745169 0.698203 0.543421 Si\n0.343803 0.017659 0.213055 O\n0.425483 0.213055 0.017659 O\n0.036945 0.824517 0.906197 O\n0.232341 0.906197 0.824517 O\n0.507736 0.608579 0.102390 O\n0.781295 0.102390 0.608579 O\n0.147610 0.468705 0.742264 O\n0.641421 0.742264 0.468705 O\n0.835865 0.559373 0.875815 O\n0.728946 0.875815 0.559373 O\n0.374185 0.521054 0.414135 O\n0.690627 0.414135 0.521054 O\n0.529973 0.640167 0.360042 O\n0.469818 0.360042 0.640167 O\n0.889958 0.780182 0.720027 O\n0.609833 0.720027 0.780182 O\n0.816633 0.234270 0.035971 O\n0.913127 0.035971 0.234270 O\n0.214029 0.336873 0.433367 O\n0.015730 0.433367 0.336873 O\n",
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{
"id": "mp-1517216",
"created_at": "2022-09-04T14:39:35.369162Z",
"structure_string": "Sr1 Ca1 Pr1 Sb1 O6\n1.0\n0.000000 -4.284449 -4.284449\n4.284449 0.000000 -4.284449\n4.284449 -4.284449 0.000000\nSr Ca Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.732174 0.267826 0.267826 O\n0.267826 0.732174 0.732174 O\n0.732174 0.267826 0.732174 O\n0.267826 0.732174 0.267826 O\n0.732174 0.732174 0.267826 O\n0.267826 0.267826 0.732174 O\n",
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"formula_full": "Sr1 Ca1 Pr1 Sb1 O6",
"formula_reduced": "SrCaPrSbO6",
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},
{
"id": "mp-728301",
"created_at": "2022-09-04T14:39:20.674776Z",
"structure_string": "K4 Mn2 C8 O20\n1.0\n4.146358 -6.111086 0.000000\n4.146358 6.111086 0.000000\n0.000000 0.000000 10.306237\nK Mn C O\n4 2 8 20\ndirect\n0.362273 0.155071 0.209953 K\n0.844929 0.637727 0.209953 K\n0.637727 0.844929 0.709953 K\n0.155071 0.362273 0.709953 K\n0.172336 0.827664 0.490210 Mn\n0.827664 0.172336 0.990210 Mn\n0.343572 0.656428 0.298161 C\n0.656428 0.343572 0.798161 C\n0.403378 0.596622 0.429124 C\n0.596622 0.403378 0.929124 C\n0.852817 0.147183 0.278018 C\n0.147183 0.852817 0.778018 C\n0.928637 0.071363 0.406868 C\n0.071363 0.928637 0.906868 C\n0.237162 0.762838 0.306062 O\n0.762838 0.237162 0.806062 O\n0.396621 0.603379 0.196525 O\n0.603379 0.396621 0.696525 O\n0.340536 0.659464 0.531684 O\n0.659464 0.340536 0.031684 O\n0.504409 0.495591 0.431810 O\n0.495591 0.504409 0.931810 O\n0.752854 0.247146 0.293848 O\n0.247146 0.752854 0.793848 O\n0.906897 0.093103 0.170684 O\n0.093103 0.906897 0.670684 O\n0.884324 0.115676 0.513673 O\n0.115676 0.884324 0.013673 O\n0.032395 0.967605 0.379223 O\n0.967605 0.032395 0.879223 O\n0.383465 0.022902 0.502251 O\n0.977098 0.616535 0.502251 O\n0.616535 0.977098 0.002251 O\n0.022902 0.383465 0.002251 O\n",
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],
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"formula_full": "K4 Mn2 C8 O20",
"formula_reduced": "K2Mn(C2O5)2",
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"energy": -247.39044235,
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},
{
"id": "mp-849663",
"created_at": "2022-09-04T14:39:35.269644Z",
"structure_string": "Cs4 Cr4 H96 S8 O80\n1.0\n12.474776 0.000000 0.000000\n0.000000 12.474776 0.000000\n0.000000 0.000000 12.474776\nCs Cr H S O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.000000 0.000000 Cs\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.019560 0.292647 0.434052 H\n0.019560 0.207353 0.934052 H\n0.023795 0.703648 0.439427 H\n0.023795 0.796352 0.939427 H\n0.005971 0.231782 0.277443 H\n0.005971 0.268218 0.777443 H\n0.060573 0.976205 0.203648 H\n0.060573 0.523795 0.703648 H\n0.065948 0.519560 0.292647 H\n0.065948 0.980440 0.792647 H\n0.123474 0.222618 0.320119 H\n0.123474 0.277382 0.820119 H\n0.179881 0.623474 0.222618 H\n0.179881 0.876526 0.722618 H\n0.207353 0.565948 0.519560 H\n0.207353 0.934052 0.019560 H\n0.203648 0.060573 0.976205 H\n0.203648 0.439427 0.476205 H\n0.222557 0.505971 0.231782 H\n0.222557 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{
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"structure_string": "Rb2 Tl2 P4 H8 O16\n1.0\n4.606808 0.000000 0.000000\n0.000000 6.568665 0.000000\n0.000000 0.460371 14.495829\nRb Tl P H O\n2 2 4 8 16\ndirect\n0.509672 0.261321 0.121792 Rb\n0.009672 0.738679 0.878208 Rb\n0.497180 0.738393 0.383157 Tl\n0.997180 0.261607 0.616843 Tl\n0.022425 0.241915 0.371892 P\n0.522425 0.758085 0.628108 P\n0.976906 0.757953 0.128487 P\n0.476906 0.242047 0.871513 P\n0.484701 0.242200 0.431350 H\n0.984701 0.757800 0.568650 H\n0.513031 0.757870 0.070354 H\n0.013031 0.242130 0.929646 H\n0.000352 0.996768 0.248686 H\n0.500352 0.003232 0.751314 H\n0.998287 0.502803 0.249152 H\n0.498287 0.497197 0.750848 H\n0.155590 0.394719 0.299483 O\n0.655590 0.605281 0.700517 O\n0.845412 0.601900 0.200043 O\n0.345412 0.398100 0.799957 O\n0.908054 0.048076 0.324901 O\n0.408054 0.951924 0.675099 O\n0.086728 0.952945 0.176108 O\n0.586728 0.047055 0.823892 O\n0.280703 0.173334 0.439225 O\n0.780703 0.826666 0.560775 O\n0.718445 0.826265 0.062282 O\n0.218445 0.173735 0.937718 O\n0.780884 0.334013 0.430345 O\n0.280884 0.665987 0.569655 O\n0.221629 0.668685 0.071210 O\n0.721629 0.331315 0.928790 O\n",
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{
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"structure_string": "Na4 U4 O12\n1.0\n5.824494 0.000000 0.000000\n0.000000 5.963180 0.000000\n0.000000 0.000000 8.346546\nNa U O\n4 4 12\ndirect\n0.506625 0.529942 0.250000 Na\n0.006625 0.970058 0.750000 Na\n0.993375 0.029942 0.250000 Na\n0.493375 0.470058 0.750000 Na\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.700869 0.296723 0.450842 O\n0.200869 0.203277 0.549158 O\n0.799131 0.796723 0.049158 O\n0.299131 0.703277 0.950842 O\n0.299131 0.703277 0.549158 O\n0.799131 0.796723 0.450842 O\n0.200869 0.203277 0.950842 O\n0.700869 0.296723 0.049158 O\n0.094278 0.469552 0.250000 O\n0.594278 0.030448 0.750000 O\n0.405722 0.969552 0.250000 O\n0.905722 0.530448 0.750000 O\n",
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