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{
"id": "mp-542008",
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"structure_string": "Li12 Fe8 As12 O48\n1.0\n9.093568 0.000000 0.000000\n0.000000 8.764834 0.000000\n0.000000 8.597501 12.454511\nLi Fe As O\n12 8 12 48\ndirect\n0.720651 0.999547 0.318752 Li\n0.220651 0.000453 0.181248 Li\n0.279349 0.000453 0.681248 Li\n0.779349 0.999547 0.818752 Li\n0.587151 0.376652 0.196598 Li\n0.087151 0.623348 0.303402 Li\n0.412849 0.623348 0.803402 Li\n0.912849 0.376652 0.696598 Li\n0.491342 0.720329 0.343097 Li\n0.991342 0.279671 0.156903 Li\n0.508658 0.279671 0.656903 Li\n0.008658 0.720329 0.843097 Li\n0.532760 0.134463 0.111511 Fe\n0.032760 0.865537 0.388489 Fe\n0.467240 0.865537 0.888489 Fe\n0.967240 0.134463 0.611511 Fe\n0.523411 0.349677 0.395486 Fe\n0.023411 0.650323 0.104514 Fe\n0.476589 0.650323 0.604514 Fe\n0.976589 0.349677 0.895486 Fe\n0.884966 0.969771 0.143320 As\n0.384966 0.030229 0.356680 As\n0.115034 0.030229 0.856680 As\n0.615034 0.969771 0.643320 As\n0.879239 0.264850 0.350701 As\n0.379239 0.735150 0.149299 As\n0.120761 0.735150 0.649299 As\n0.620761 0.264850 0.850701 As\n0.751806 0.547519 0.491065 As\n0.251806 0.452481 0.008935 As\n0.248194 0.452481 0.508935 As\n0.748194 0.547519 0.991065 As\n0.920472 0.121052 0.308610 O\n0.420472 0.878948 0.191390 O\n0.079528 0.878948 0.691390 O\n0.579528 0.121052 0.808610 O\n0.886677 0.842074 0.091036 O\n0.386677 0.157926 0.408964 O\n0.113323 0.157926 0.908964 O\n0.613323 0.842074 0.591036 O\n0.513768 0.118368 0.254022 O\n0.013768 0.881632 0.245978 O\n0.486232 0.881632 0.745978 O\n0.986232 0.118368 0.754022 O\n0.477209 0.533474 0.226360 O\n0.977209 0.466526 0.273640 O\n0.522791 0.466526 0.773640 O\n0.022791 0.533474 0.726360 O\n0.948357 0.195599 0.056352 O\n0.448357 0.804401 0.443648 O\n0.051643 0.804401 0.943648 O\n0.551643 0.195599 0.556352 O\n0.912792 0.153402 0.483684 O\n0.412792 0.846598 0.016316 O\n0.087208 0.846598 0.516316 O\n0.587208 0.153402 0.983684 O\n0.616538 0.382485 0.064897 O\n0.116538 0.617515 0.435103 O\n0.383462 0.617515 0.935103 O\n0.883462 0.382485 0.564897 O\n0.663638 0.545286 0.391415 O\n0.163638 0.454714 0.108585 O\n0.336362 0.454714 0.608585 O\n0.836362 0.545286 0.891415 O\n0.824307 0.766187 0.431091 O\n0.324307 0.233813 0.068909 O\n0.175693 0.233813 0.568909 O\n0.675693 0.766187 0.931091 O\n0.865425 0.504375 0.092838 O\n0.365425 0.495625 0.407162 O\n0.134575 0.495625 0.907162 O\n0.634575 0.504375 0.592838 O\n0.718052 0.982612 0.191892 O\n0.218052 0.017388 0.308108 O\n0.281948 0.017388 0.808108 O\n0.781948 0.982612 0.691892 O\n0.690215 0.282853 0.334723 O\n0.190215 0.717147 0.165277 O\n0.309785 0.717147 0.665277 O\n0.809785 0.282853 0.834723 O\n",
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"formula_full": "Li12 Fe8 As12 O48",
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"spacegroup": 14
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{
"id": "mp-1037017",
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"structure_string": "Sr1 Mg30 Co1 O32\n1.0\n8.591014 0.000000 0.000000\n0.000000 8.591014 0.000000\n0.000000 0.000000 8.615579\nSr Mg Co O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.245131 0.245131 0.000000 Mg\n0.245131 0.754869 0.000000 Mg\n0.754869 0.245131 0.000000 Mg\n0.754869 0.754869 0.000000 Mg\n0.249441 0.249441 0.500000 Mg\n0.249441 0.750559 0.500000 Mg\n0.750559 0.249441 0.500000 Mg\n0.750559 0.750559 0.500000 Mg\n0.000000 0.248396 0.250464 Mg\n0.000000 0.751604 0.250464 Mg\n0.500000 0.244743 0.255178 Mg\n0.500000 0.755257 0.255178 Mg\n0.000000 0.248396 0.749536 Mg\n0.000000 0.751604 0.749536 Mg\n0.500000 0.244743 0.744822 Mg\n0.500000 0.755257 0.744822 Mg\n0.248396 0.000000 0.250464 Mg\n0.244743 0.500000 0.255178 Mg\n0.751604 0.000000 0.250464 Mg\n0.755257 0.500000 0.255178 Mg\n0.248396 0.000000 0.749536 Mg\n0.244743 0.500000 0.744822 Mg\n0.751604 0.000000 0.749536 Mg\n0.755257 0.500000 0.744822 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.257158 O\n0.000000 0.500000 0.253151 O\n0.500000 0.000000 0.253151 O\n0.500000 0.500000 0.269999 O\n0.000000 0.000000 0.742842 O\n0.000000 0.500000 0.746849 O\n0.500000 0.000000 0.746849 O\n0.500000 0.500000 0.730001 O\n0.250149 0.250149 0.249128 O\n0.250149 0.749851 0.249128 O\n0.749851 0.250149 0.249128 O\n0.749851 0.749851 0.249128 O\n0.250149 0.250149 0.750872 O\n0.250149 0.749851 0.750872 O\n0.749851 0.250149 0.750872 O\n0.749851 0.749851 0.750872 O\n0.000000 0.246698 0.000000 O\n0.000000 0.753302 0.000000 O\n0.500000 0.229682 0.000000 O\n0.500000 0.770318 0.000000 O\n0.000000 0.249989 0.500000 O\n0.000000 0.750011 0.500000 O\n0.500000 0.246550 0.500000 O\n0.500000 0.753450 0.500000 O\n0.246698 0.000000 0.000000 O\n0.229682 0.500000 0.000000 O\n0.753302 0.000000 0.000000 O\n0.770318 0.500000 0.000000 O\n0.249989 0.000000 0.500000 O\n0.246550 0.500000 0.500000 O\n0.750011 0.000000 0.500000 O\n0.753450 0.500000 0.500000 O\n",
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"Mg",
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],
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"formula_full": "Sr1 Mg30 Co1 O32",
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"spacegroup": 123
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{
"id": "mp-561940",
"created_at": "2022-09-04T14:46:01.321791Z",
"structure_string": "Na6 Co4 Sb2 O12\n1.0\n2.621628 -4.763080 -0.837542\n7.599359 4.622998 -2.540510\n0.037045 -0.008406 5.698439\nNa Co Sb O\n6 4 2 12\ndirect\n0.250001 0.250002 0.500003 Na\n0.749991 0.750006 0.500014 Na\n0.758576 0.413138 0.500803 Na\n0.258678 0.913172 0.500804 Na\n0.741414 0.086858 0.499187 Na\n0.241345 0.586827 0.499192 Na\n0.500531 0.835132 0.999762 Co\n0.999413 0.664846 0.000237 Co\n0.000585 0.335189 0.999773 Co\n0.499424 0.164805 0.000229 Co\n0.499983 0.499930 0.999932 Sb\n0.999986 0.000079 0.000063 Sb\n0.382908 0.375345 0.206732 O\n0.883047 0.875368 0.206835 O\n0.117098 0.124653 0.793271 O\n0.616898 0.624624 0.793126 O\n0.617160 0.305894 0.792034 O\n0.117191 0.805909 0.792041 O\n0.882845 0.194110 0.207977 O\n0.382866 0.694084 0.208011 O\n0.350041 0.033008 0.200179 O\n0.849887 0.532985 0.200132 O\n0.149976 0.467019 0.799845 O\n0.650155 0.967015 0.799819 O\n",
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],
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"formula_full": "Na6 Co4 Sb2 O12",
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{
"id": "mp-1522418",
"created_at": "2022-09-04T14:46:01.425717Z",
"structure_string": "Ba8 Dy4 Sb4 O24\n1.0\n8.518265 0.000000 0.000000\n0.000000 8.518265 -0.000000\n-0.000000 0.000000 8.518265\nBa Dy Sb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 -0.000000 0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Dy\n0.750000 0.250000 0.250000 Dy\n0.250000 0.750000 0.250000 Dy\n0.250000 0.250000 0.750000 Dy\n0.250000 0.250000 0.250000 Sb\n0.250000 0.750000 0.750000 Sb\n0.750000 0.250000 0.750000 Sb\n0.750000 0.750000 0.250000 Sb\n0.240418 0.260014 0.486649 O\n0.240418 0.739986 0.513351 O\n0.759582 0.260014 0.513351 O\n0.759582 0.739986 0.486649 O\n0.260014 0.486649 0.240418 O\n0.739986 0.513351 0.240418 O\n0.260014 0.513351 0.759582 O\n0.739986 0.486649 0.759582 O\n0.486649 0.240418 0.260014 O\n0.513351 0.240418 0.739986 O\n0.513351 0.759582 0.260014 O\n0.486649 0.759582 0.739986 O\n0.259582 0.239986 0.013351 O\n0.259582 0.760014 0.986649 O\n0.740418 0.239986 0.986649 O\n0.740418 0.760014 0.013351 O\n0.239986 0.013351 0.259582 O\n0.760014 0.986649 0.259582 O\n0.239986 0.986649 0.740418 O\n0.760014 0.013351 0.740418 O\n0.013351 0.259582 0.239986 O\n0.986649 0.259582 0.760014 O\n0.986649 0.740418 0.239986 O\n0.013351 0.740418 0.760014 O\n",
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{
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"structure_string": "Tb2 P2 Os4 C2\n1.0\n1.921340 -5.562801 0.000000\n1.921340 5.562801 0.000000\n0.000000 0.000000 7.048038\nTb P Os C\n2 2 4 2\ndirect\n0.544556 0.455444 0.250000 Tb\n0.455444 0.544556 0.750000 Tb\n0.268404 0.731596 0.250000 P\n0.731596 0.268404 0.750000 P\n0.834065 0.165935 0.052332 Os\n0.165935 0.834065 0.947668 Os\n0.165935 0.834065 0.552332 Os\n0.834065 0.165935 0.447668 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
"id": "mp-831248",
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"structure_string": "Li9 Mn7 V12 O48\n1.0\n5.029336 0.000000 0.000000\n-0.007887 10.200096 0.000000\n-0.172538 -0.009108 17.151331\nLi Mn V O\n9 7 12 48\ndirect\n0.097351 0.749467 0.749333 Li\n0.247777 0.582529 0.032310 Li\n0.257145 0.420444 0.527940 Li\n0.258650 0.079409 0.527531 Li\n0.244934 0.744647 0.195797 Li\n0.748520 0.246712 0.808235 Li\n0.753889 0.081296 0.970624 Li\n0.752606 0.747300 0.299094 Li\n0.902167 0.249811 0.251475 Li\n0.203615 0.248562 0.699614 Mn\n0.237851 0.934725 0.025432 Mn\n0.403966 0.250675 0.249469 Mn\n0.597262 0.750341 0.751509 Mn\n0.760016 0.932118 0.472486 Mn\n0.758224 0.567417 0.472667 Mn\n0.763980 0.433417 0.977468 Mn\n0.225339 0.252868 0.056430 V\n0.225296 0.971467 0.344963 V\n0.224104 0.528473 0.345205 V\n0.288674 0.475083 0.846906 V\n0.285747 0.024410 0.842845 V\n0.287659 0.749727 0.556211 V\n0.712394 0.249597 0.441002 V\n0.716442 0.524926 0.158104 V\n0.713071 0.975252 0.153654 V\n0.773380 0.472209 0.656513 V\n0.775446 0.027023 0.656051 V\n0.772997 0.752497 0.944327 V\n0.062984 0.766391 0.004770 O\n0.065935 0.385136 0.631297 O\n0.066360 0.115773 0.629752 O\n0.105161 0.373893 0.787228 O\n0.086638 0.124520 0.783496 O\n0.079157 0.880939 0.534135 O\n0.078211 0.619088 0.533996 O\n0.087047 0.988751 0.926266 O\n0.069868 0.506555 0.925177 O\n0.172705 0.252650 0.157264 O\n0.175666 0.376070 0.296181 O\n0.173246 0.121878 0.295343 O\n0.364554 0.877010 0.792278 O\n0.365084 0.620205 0.796252 O\n0.368023 0.748534 0.655363 O\n0.438453 0.501704 0.427264 O\n0.441519 0.997205 0.426678 O\n0.400472 0.108548 0.033837 O\n0.447802 0.375969 0.032418 O\n0.396621 0.874288 0.287657 O\n0.406213 0.625960 0.291425 O\n0.419602 0.888977 0.119683 O\n0.447946 0.612455 0.129538 O\n0.449639 0.249881 0.500300 O\n0.583428 0.749753 0.491315 O\n0.576023 0.390286 0.879228 O\n0.556602 0.108874 0.870519 O\n0.570705 0.373936 0.708391 O\n0.567765 0.124856 0.705589 O\n0.554649 0.876325 0.967666 O\n0.599834 0.607824 0.965927 O\n0.596959 0.984484 0.570325 O\n0.595511 0.514748 0.570762 O\n0.627502 0.248229 0.341689 O\n0.633999 0.375832 0.207871 O\n0.633187 0.121095 0.203719 O\n0.828090 0.877557 0.707619 O\n0.828573 0.620127 0.708787 O\n0.824808 0.753027 0.842173 O\n0.919840 0.487370 0.071679 O\n0.931752 0.008304 0.072898 O\n0.908106 0.394129 0.462519 O\n0.909204 0.105631 0.462714 O\n0.890944 0.879443 0.211843 O\n0.917623 0.617753 0.214649 O\n0.926160 0.887840 0.378300 O\n0.925189 0.612131 0.378982 O\n0.936142 0.265668 0.994047 O\n",
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"formula_full": "Li9 Mn7 V12 O48",
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{
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