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{
"id": "mp-1212124",
"created_at": "2022-09-04T14:43:57.992101Z",
"structure_string": "K6 Ca6 Fe12 F54\n1.0\n3.803376 -6.563814 0.000000\n3.803376 6.563814 0.000000\n0.000000 0.000000 23.935619\nK Ca Fe F\n6 6 12 54\ndirect\n0.490513 0.509487 0.750000 K\n0.509487 0.490513 0.250000 K\n0.536442 0.494591 0.583497 K\n0.463558 0.505409 0.083497 K\n0.505409 0.463558 0.916503 K\n0.494591 0.536442 0.416503 K\n0.014962 0.014962 0.500000 Ca\n0.985038 0.985038 0.000000 Ca\n0.998654 0.485770 0.833360 Ca\n0.001346 0.514230 0.333360 Ca\n0.514230 0.001346 0.666640 Ca\n0.485770 0.998654 0.166640 Ca\n0.020153 0.517470 0.502303 Fe\n0.979847 0.482530 0.002303 Fe\n0.482530 0.979847 0.997697 Fe\n0.517470 0.020153 0.497697 Fe\n0.015744 0.498264 0.664645 Fe\n0.984256 0.501736 0.164645 Fe\n0.501736 0.984256 0.835355 Fe\n0.498264 0.015744 0.335355 Fe\n0.988214 0.003801 0.168928 Fe\n0.011786 0.996199 0.668928 Fe\n0.996199 0.011786 0.331072 Fe\n0.003801 0.988214 0.831072 Fe\n0.171471 0.376455 0.516401 F\n0.828529 0.623545 0.016401 F\n0.623545 0.828529 0.983599 F\n0.376455 0.171471 0.483599 F\n0.723611 0.363212 0.677359 F\n0.276389 0.636788 0.177359 F\n0.636788 0.276389 0.822641 F\n0.363212 0.723611 0.322641 F\n0.973076 0.226812 0.654028 F\n0.026924 0.773188 0.154028 F\n0.773188 0.026924 0.845972 F\n0.226812 0.973076 0.345972 F\n0.074909 0.488213 0.742918 F\n0.925091 0.511787 0.242918 F\n0.511787 0.925091 0.757082 F\n0.488213 0.074909 0.257082 F\n0.040723 0.979341 0.589976 F\n0.959277 0.020659 0.089976 F\n0.020659 0.959277 0.910024 F\n0.979341 0.040723 0.410024 F\n0.249733 0.788923 0.513422 F\n0.750267 0.211077 0.013422 F\n0.211077 0.750267 0.986578 F\n0.788923 0.249733 0.486578 F\n0.982054 0.017946 0.750000 F\n0.017946 0.982054 0.250000 F\n0.912308 0.464259 0.923733 F\n0.087692 0.535741 0.423733 F\n0.535741 0.087692 0.576267 F\n0.464259 0.912308 0.076267 F\n0.166656 0.283739 0.835706 F\n0.833344 0.716261 0.335706 F\n0.716261 0.833344 0.664294 F\n0.283739 0.166656 0.164294 F\n0.141067 0.349687 0.991780 F\n0.858933 0.650313 0.491780 F\n0.650313 0.858933 0.508220 F\n0.349687 0.141067 0.008220 F\n0.841671 0.693577 0.822592 F\n0.158329 0.306423 0.322592 F\n0.306423 0.158329 0.677408 F\n0.693577 0.841671 0.177408 F\n0.048466 0.763698 0.679952 F\n0.951534 0.236302 0.179952 F\n0.236302 0.951534 0.820048 F\n0.763698 0.048466 0.320048 F\n0.304987 0.639868 0.648014 F\n0.695013 0.360132 0.148014 F\n0.360132 0.695013 0.851986 F\n0.639868 0.304987 0.351986 F\n0.953873 0.505117 0.583521 F\n0.046127 0.494883 0.083521 F\n0.494883 0.046127 0.916479 F\n0.505117 0.953873 0.416479 F\n",
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"formula_full": "K6 Ca6 Fe12 F54",
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"spacegroup": 20
},
{
"id": "mp-974523",
"created_at": "2022-09-04T14:43:57.992773Z",
"structure_string": "Nd1 Er1 Tl2\n1.0\n0.000000 3.844195 3.844195\n3.844195 0.000000 3.844195\n3.844195 3.844195 0.000000\nNd Er Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
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"formula_full": "Nd1 Er1 Tl2",
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{
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"structure_string": "Ba4 La4 Cl20\n1.0\n12.466894 0.000000 0.000000\n0.000000 7.133347 0.000000\n0.000000 0.500996 9.965274\nBa La Cl\n4 4 20\ndirect\n0.027495 0.033997 0.823931 Ba\n0.363133 0.449358 0.625014 Ba\n0.863133 0.550642 0.374986 Ba\n0.527495 0.966003 0.176069 Ba\n0.621060 0.986130 0.612682 La\n0.213706 0.525113 0.105802 La\n0.713706 0.474887 0.894198 La\n0.121060 0.013870 0.387318 La\n0.770619 0.955038 0.411124 Cl\n0.528805 0.188902 0.828325 Cl\n0.289643 0.147783 0.214703 Cl\n0.514628 0.230130 0.430761 Cl\n0.221800 0.310804 0.877978 Cl\n0.019826 0.268145 0.552267 Cl\n0.724297 0.202733 0.094859 Cl\n0.738560 0.351818 0.625451 Cl\n0.032025 0.315029 0.213724 Cl\n0.932902 0.428822 0.888146 Cl\n0.432902 0.571178 0.111854 Cl\n0.532025 0.684971 0.786276 Cl\n0.238560 0.648182 0.374549 Cl\n0.224297 0.797267 0.905141 Cl\n0.519826 0.731855 0.447733 Cl\n0.721800 0.689196 0.122022 Cl\n0.014628 0.769870 0.569239 Cl\n0.789643 0.852217 0.785297 Cl\n0.028805 0.811098 0.171675 Cl\n0.270619 0.044962 0.588876 Cl\n",
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"spacegroup": 4
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{
"id": "mp-11270",
"created_at": "2022-09-04T14:43:57.998021Z",
"structure_string": "Mn4 Be8\n1.0\n2.072233 -3.589213 0.000000\n2.072233 3.589213 0.000000\n0.000000 0.000000 6.759455\nMn Be\n4 8\ndirect\n0.333333 0.666667 0.060630 Mn\n0.666667 0.333333 0.560630 Mn\n0.666667 0.333333 0.939370 Mn\n0.333333 0.666667 0.439370 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.829886 0.659771 0.250000 Be\n0.170114 0.829886 0.750000 Be\n0.659771 0.829886 0.750000 Be\n0.340229 0.170114 0.250000 Be\n0.829886 0.170114 0.250000 Be\n0.170114 0.340229 0.750000 Be\n",
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"formula_full": "Mn4 Be8",
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{
"id": "mp-1198065",
"created_at": "2022-09-04T14:43:58.006775Z",
"structure_string": "Ba24 Mg24 B24 O72 F24\n1.0\n15.431967 8.898542 0.000000\n-15.431967 8.898542 0.000000\n0.000000 0.001870 8.247719\nBa Mg B O F\n24 24 24 72 24\ndirect\n0.098502 0.288598 0.796634 Ba\n0.288598 0.098502 0.296634 Ba\n0.911680 0.915272 0.783733 Ba\n0.915272 0.911680 0.283733 Ba\n0.114036 0.298659 0.293480 Ba\n0.298659 0.114036 0.793480 Ba\n0.786497 0.094890 0.822636 Ba\n0.094890 0.786497 0.322636 Ba\n0.595662 0.787881 0.808467 Ba\n0.787881 0.595662 0.308467 Ba\n0.290413 0.600362 0.825656 Ba\n0.600362 0.290413 0.325656 Ba\n0.801098 0.116495 0.323656 Ba\n0.116495 0.801098 0.823656 Ba\n0.409430 0.420562 0.794779 Ba\n0.420562 0.409430 0.294779 Ba\n0.418149 0.911844 0.836103 Ba\n0.911844 0.418149 0.336103 Ba\n0.916665 0.409092 0.837221 Ba\n0.409092 0.916665 0.337221 Ba\n0.802541 0.614850 0.810754 Ba\n0.614850 0.802541 0.310754 Ba\n0.300443 0.612902 0.326990 Ba\n0.612902 0.300443 0.826990 Ba\n0.243920 0.241527 0.532487 Mg\n0.241527 0.243920 0.032487 Mg\n0.959564 0.099926 0.035849 Mg\n0.099926 0.959564 0.535849 Mg\n0.964825 0.106044 0.531608 Mg\n0.106044 0.964825 0.031608 Mg\n0.600511 0.961929 0.582190 Mg\n0.961929 0.600511 0.082190 Mg\n0.101656 0.459960 0.580191 Mg\n0.459960 0.101656 0.080191 Mg\n0.742126 0.243049 0.079672 Mg\n0.243049 0.742126 0.579672 Mg\n0.967018 0.606016 0.589093 Mg\n0.606016 0.967018 0.089093 Mg\n0.743615 0.241867 0.583914 Mg\n0.241867 0.743615 0.083914 Mg\n0.106380 0.464588 0.087522 Mg\n0.464588 0.106380 0.587522 Mg\n0.743599 0.744421 0.055691 Mg\n0.744421 0.743599 0.555691 Mg\n0.461326 0.600726 0.055247 Mg\n0.600726 0.461326 0.555247 Mg\n0.466936 0.606191 0.543799 Mg\n0.606191 0.466936 0.043799 Mg\n0.602251 0.102188 0.579911 B\n0.102188 0.602251 0.079911 B\n0.600980 0.103913 0.080703 B\n0.103913 0.600980 0.580703 B\n0.102286 0.100744 0.535335 B\n0.100744 0.102286 0.035335 B\n0.939005 0.269331 0.567969 B\n0.269331 0.939005 0.067969 B\n0.272265 0.438125 0.553823 B\n0.438125 0.272265 0.053823 B\n0.268193 0.438557 0.050949 B\n0.438557 0.268193 0.550949 B\n0.937168 0.270516 0.069614 B\n0.270516 0.937168 0.569614 B\n0.770005 0.937970 0.553970 B\n0.937970 0.770005 0.053970 B\n0.771293 0.939135 0.067092 B\n0.939135 0.771293 0.567092 B\n0.439755 0.771221 0.566323 B\n0.771221 0.439755 0.066323 B\n0.439467 0.771796 0.075799 B\n0.771796 0.439467 0.575799 B\n0.602206 0.604674 0.055263 B\n0.604674 0.602206 0.555263 B\n0.872191 0.788689 0.024082 O\n0.788689 0.872191 0.524082 O\n0.293878 0.373947 0.525533 O\n0.373947 0.293878 0.025533 O\n0.969790 0.219866 0.495602 O\n0.219866 0.969790 0.995602 O\n0.970153 0.718178 0.619080 O\n0.718178 0.970153 0.119080 O\n0.682267 0.609712 0.041535 O\n0.609712 0.682267 0.541535 O\n0.337152 0.523606 0.579067 O\n0.523606 0.337152 0.079067 O\n0.218702 0.467707 0.127934 O\n0.467707 0.218702 0.627934 O\n0.847062 0.992473 0.983950 O\n0.992473 0.847062 0.483950 O\n0.526776 0.523814 0.052111 O\n0.523814 0.526776 0.552111 O\n0.596978 0.679424 0.070206 O\n0.679424 0.596978 0.570206 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{
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"structure_string": "Mg2 Ti2 Bi2 P6 O24\n1.0\n8.379796 -0.480581 -0.335148\n4.017089 7.369866 -0.335148\n4.017089 2.232406 7.031616\nMg Ti Bi P O\n2 2 2 6 24\ndirect\n0.993191 0.993191 0.993191 Mg\n0.493191 0.493191 0.493191 Mg\n0.149001 0.149001 0.149001 Ti\n0.649001 0.649001 0.649001 Ti\n0.332205 0.332205 0.332205 Bi\n0.832205 0.832205 0.832205 Bi\n0.065297 0.428878 0.760073 P\n0.428878 0.760073 0.065297 P\n0.760073 0.065297 0.428878 P\n0.260073 0.928878 0.565297 P\n0.565297 0.260073 0.928878 P\n0.928878 0.565297 0.260073 P\n0.058197 0.563338 0.343233 O\n0.343233 0.058197 0.563338 O\n0.069136 0.235258 0.906219 O\n0.563338 0.343233 0.058197 O\n0.063338 0.558197 0.843233 O\n0.243181 0.417514 0.593310 O\n0.235258 0.906219 0.069136 O\n0.417514 0.593310 0.243181 O\n0.206679 0.006788 0.378502 O\n0.593310 0.243181 0.417514 O\n0.093310 0.917514 0.743181 O\n0.378502 0.206679 0.006788 O\n0.558197 0.843233 0.063338 O\n0.906219 0.069136 0.235258 O\n0.406219 0.735258 0.569136 O\n0.843233 0.063338 0.558197 O\n0.569136 0.406219 0.735258 O\n0.743181 0.093310 0.917514 O\n0.735258 0.569136 0.406219 O\n0.006788 0.378502 0.206679 O\n0.506788 0.706679 0.878502 O\n0.917514 0.743181 0.093310 O\n0.706679 0.878502 0.506788 O\n0.878502 0.506788 0.706679 O\n",
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