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{
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{
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{
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"structure_string": "Na4 Cr4 S8 O80\n1.0\n11.487020 0.000000 0.000000\n0.000000 11.487020 0.000000\n0.000000 0.000000 11.487020\nNa Cr S O\n4 4 8 80\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.191571 0.808429 0.308429 S\n0.808429 0.308429 0.191571 S\n0.308429 0.191571 0.808429 S\n0.691571 0.691571 0.691571 S\n0.808429 0.191571 0.691571 S\n0.191571 0.691571 0.808429 S\n0.691571 0.808429 0.191571 S\n0.308429 0.308429 0.308429 S\n0.264417 0.735583 0.235583 O\n0.735583 0.235583 0.264417 O\n0.235583 0.264417 0.735583 O\n0.764417 0.764417 0.764417 O\n0.735583 0.264417 0.764417 O\n0.264417 0.764417 0.735583 O\n0.764417 0.735583 0.264417 O\n0.235583 0.235583 0.235583 O\n0.570269 0.823745 0.238020 O\n0.429731 0.323745 0.261980 O\n0.929731 0.176255 0.738020 O\n0.070269 0.676255 0.761980 O\n0.238020 0.570269 0.823745 O\n0.261980 0.429731 0.323745 O\n0.738020 0.929731 0.176255 O\n0.761980 0.070269 0.676255 O\n0.823745 0.238020 0.570269 O\n0.323745 0.261980 0.429731 O\n0.176255 0.738020 0.929731 O\n0.676255 0.761980 0.070269 O\n0.429731 0.176255 0.761980 O\n0.570269 0.676255 0.738020 O\n0.070269 0.823745 0.261980 O\n0.929731 0.323745 0.238020 O\n0.761980 0.429731 0.176255 O\n0.738020 0.570269 0.676255 O\n0.261980 0.070269 0.823745 O\n0.238020 0.929731 0.323745 O\n0.176255 0.761980 0.429731 O\n0.676255 0.738020 0.570269 O\n0.823745 0.261980 0.070269 O\n0.323745 0.238020 0.929731 O\n0.476086 0.681198 0.974705 O\n0.523914 0.181198 0.525295 O\n0.023914 0.318802 0.474705 O\n0.976086 0.818802 0.025295 O\n0.974705 0.476086 0.681198 O\n0.525295 0.523914 0.181198 O\n0.474705 0.023914 0.318802 O\n0.025295 0.976086 0.818802 O\n0.681198 0.974705 0.476086 O\n0.181198 0.525295 0.523914 O\n0.318802 0.474705 0.023914 O\n0.818802 0.025295 0.976086 O\n0.523914 0.318802 0.025295 O\n0.476086 0.818802 0.474705 O\n0.976086 0.681198 0.525295 O\n0.023914 0.181198 0.974705 O\n0.025295 0.523914 0.318802 O\n0.474705 0.476086 0.818802 O\n0.525295 0.976086 0.681198 O\n0.974705 0.023914 0.181198 O\n0.318802 0.025295 0.523914 O\n0.818802 0.474705 0.476086 O\n0.681198 0.525295 0.976086 O\n0.181198 0.974705 0.023914 O\n0.244007 0.523056 0.086152 O\n0.755993 0.023056 0.413848 O\n0.255993 0.476944 0.586152 O\n0.744007 0.976944 0.913848 O\n0.086152 0.244007 0.523056 O\n0.413848 0.755993 0.023056 O\n0.586152 0.255993 0.476944 O\n0.913848 0.744007 0.976944 O\n0.523056 0.086152 0.244007 O\n0.023056 0.413848 0.755993 O\n0.476944 0.586152 0.255993 O\n0.976944 0.913848 0.744007 O\n0.755993 0.476944 0.913848 O\n0.244007 0.976944 0.586152 O\n0.744007 0.523056 0.413848 O\n0.255993 0.023056 0.086152 O\n0.913848 0.755993 0.476944 O\n0.586152 0.244007 0.976944 O\n0.413848 0.744007 0.523056 O\n0.086152 0.255993 0.023056 O\n0.476944 0.913848 0.755993 O\n0.976944 0.586152 0.244007 O\n0.523056 0.413848 0.744007 O\n0.023056 0.086152 0.255993 O\n",
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"formula_full": "Na4 Cr4 S8 O80",
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{
"id": "mp-28827",
"created_at": "2022-09-04T14:41:01.528991Z",
"structure_string": "Tb6 Mn4 C12\n1.0\n4.060321 -7.032682 0.000000\n4.060321 7.032682 0.000000\n0.000000 0.000000 4.998253\nTb Mn C\n6 4 12\ndirect\n0.620506 0.684979 0.750000 Tb\n0.935527 0.620506 0.250000 Tb\n0.684979 0.064473 0.250000 Tb\n0.315021 0.935527 0.750000 Tb\n0.064473 0.379494 0.750000 Tb\n0.379494 0.315021 0.250000 Tb\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666667 0.333333 0.750000 Mn\n0.333333 0.666667 0.250000 Mn\n0.964037 0.772957 0.750000 C\n0.191081 0.964037 0.250000 C\n0.772957 0.808919 0.250000 C\n0.227043 0.191081 0.750000 C\n0.808919 0.035963 0.750000 C\n0.035963 0.227043 0.250000 C\n0.864300 0.578715 0.750000 C\n0.285585 0.864300 0.250000 C\n0.578715 0.714415 0.250000 C\n0.421285 0.285585 0.750000 C\n0.135700 0.421285 0.250000 C\n0.714415 0.135700 0.750000 C\n",
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{
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"structure_string": "Bi4 Pd12\n1.0\n5.092227 0.000000 0.000000\n0.000000 5.855404 0.000000\n0.000000 0.000000 9.583114\nBi Pd\n4 12\ndirect\n0.153998 0.500000 0.750000 Bi\n0.846002 0.500000 0.250000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.665141 0.250991 0.750000 Pd\n0.665141 0.749009 0.750000 Pd\n0.334859 0.250991 0.250000 Pd\n0.334859 0.749009 0.250000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.848334 0.000000 0.250000 Pd\n0.151666 0.000000 0.750000 Pd\n0.000000 0.749533 0.000000 Pd\n0.000000 0.250467 0.500000 Pd\n0.000000 0.250467 0.000000 Pd\n0.000000 0.749533 0.500000 Pd\n",
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{
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"structure_string": "La2 Pb12 Br2 O14\n1.0\n4.938468 -8.353089 0.000000\n4.938468 8.353089 0.000000\n0.000000 0.000000 8.271082\nLa Pb Br O\n2 12 2 14\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.614344 0.812673 0.750000 Pb\n0.812673 0.614344 0.250000 Pb\n0.385656 0.187327 0.250000 Pb\n0.187327 0.385656 0.750000 Pb\n0.366274 0.104628 0.750000 Pb\n0.227670 0.772330 0.014263 Pb\n0.227670 0.772330 0.485737 Pb\n0.895372 0.633726 0.750000 Pb\n0.772330 0.227670 0.514263 Pb\n0.633726 0.895372 0.250000 Pb\n0.772330 0.227670 0.985737 Pb\n0.104628 0.366274 0.250000 Pb\n0.500000 0.500000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n0.860430 0.842044 0.750000 O\n0.020735 0.279079 0.528817 O\n0.020735 0.279079 0.971183 O\n0.139570 0.157956 0.250000 O\n0.720921 0.979265 0.528817 O\n0.192935 0.807065 0.750000 O\n0.979265 0.720921 0.471183 O\n0.842044 0.860430 0.250000 O\n0.157956 0.139570 0.750000 O\n0.720921 0.979265 0.971183 O\n0.979265 0.720921 0.028817 O\n0.279079 0.020735 0.028817 O\n0.807065 0.192935 0.250000 O\n0.279079 0.020735 0.471183 O\n",
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{
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"structure_string": "Al16 P16 O64\n1.0\n8.688178 0.000000 0.000000\n0.000000 9.955736 0.000000\n0.000000 0.000000 19.644015\nAl P O\n16 16 64\ndirect\n0.921480 0.129313 0.033174 Al\n0.078520 0.629313 0.966826 Al\n0.417788 0.878754 0.423888 Al\n0.078868 0.330014 0.722133 Al\n0.417788 0.378754 0.076112 Al\n0.921132 0.830014 0.277867 Al\n0.426468 0.526815 0.320815 Al\n0.582212 0.378754 0.576112 Al\n0.078868 0.830014 0.777867 Al\n0.078520 0.129313 0.533174 Al\n0.573532 0.526815 0.820815 Al\n0.921132 0.330014 0.222133 Al\n0.582212 0.878754 0.923888 Al\n0.921480 0.629313 0.466826 Al\n0.426468 0.026815 0.179185 Al\n0.573532 0.026815 0.679185 Al\n0.055922 0.047048 0.178133 P\n0.055922 0.547048 0.321867 P\n0.553618 0.307717 0.223666 P\n0.952529 0.409218 0.576410 P\n0.446382 0.807717 0.776334 P\n0.047471 0.909218 0.423590 P\n0.451614 0.100923 0.533330 P\n0.553618 0.807717 0.276334 P\n0.952529 0.909218 0.923590 P\n0.451614 0.600923 0.966670 P\n0.944078 0.547048 0.821867 P\n0.047471 0.409218 0.076410 P\n0.548386 0.600923 0.466670 P\n0.548386 0.100923 0.033330 P\n0.944078 0.047048 0.678133 P\n0.446382 0.307717 0.723666 P\n0.017358 0.162408 0.719113 O\n0.983857 0.412213 0.788431 O\n0.720972 0.632779 0.460657 O\n0.989560 0.294855 0.030030 O\n0.989560 0.794855 0.469970 O\n0.724070 0.833384 0.261326 O\n0.456393 0.232640 0.028916 O\n0.279028 0.132779 0.539343 O\n0.497368 0.018264 0.095692 O\n0.231028 0.065722 0.177053 O\n0.982642 0.662408 0.280887 O\n0.483224 0.019884 0.468291 O\n0.279028 0.632779 0.960657 O\n0.017358 0.662408 0.780887 O\n0.958702 0.409684 0.144013 O\n0.543814 0.873139 0.720013 O\n0.219997 0.389884 0.090942 O\n0.004843 0.046476 0.604704 O\n0.497368 0.518264 0.404308 O\n0.016143 0.412213 0.288431 O\n0.982642 0.162408 0.219113 O\n0.516776 0.019884 0.968291 O\n0.768972 0.565722 0.822947 O\n0.543814 0.373139 0.779987 O\n0.995157 0.546476 0.395296 O\n0.543607 0.732640 0.971084 O\n0.979684 0.544436 0.540602 O\n0.512378 0.869782 0.345746 O\n0.275930 0.833384 0.761326 O\n0.483224 0.519884 0.031709 O\n0.512378 0.369782 0.154254 O\n0.780003 0.889884 0.909058 O\n0.502632 0.518264 0.904308 O\n0.456393 0.732640 0.471084 O\n0.041298 0.909684 0.855987 O\n0.780003 0.389884 0.590942 O\n0.478045 0.655647 0.776401 O\n0.521955 0.655647 0.276401 O\n0.231028 0.565722 0.322947 O\n0.487622 0.869782 0.845746 O\n0.041298 0.409684 0.644013 O\n0.768972 0.065722 0.677053 O\n0.958702 0.909684 0.355987 O\n0.016143 0.912213 0.211569 O\n0.219997 0.889884 0.409058 O\n0.979684 0.044436 0.959398 O\n0.020316 0.544436 0.040602 O\n0.487622 0.369782 0.654254 O\n0.720972 0.132779 0.039343 O\n0.521955 0.155647 0.223599 O\n0.010440 0.294855 0.530030 O\n0.456186 0.373139 0.279987 O\n0.020316 0.044436 0.459398 O\n0.010440 0.794855 0.969970 O\n0.724070 0.333384 0.238674 O\n0.004843 0.546476 0.895296 O\n0.502632 0.018264 0.595692 O\n0.478045 0.155647 0.723599 O\n0.983857 0.912213 0.711569 O\n0.275930 0.333384 0.738674 O\n0.543607 0.232640 0.528916 O\n0.995157 0.046476 0.104704 O\n0.516776 0.519884 0.531709 O\n0.456186 0.873139 0.220013 O\n",
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