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{
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{
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{
"id": "mp-556287",
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"structure_string": "Na4 Bi8 Sb12 O44\n1.0\n9.645397 0.000000 0.000000\n0.000000 9.645397 0.000000\n0.000000 0.000000 9.645397\nNa Bi Sb O\n4 8 12 44\ndirect\n0.250000 0.250000 0.750000 Na\n0.750000 0.750000 0.750000 Na\n0.750000 0.250000 0.250000 Na\n0.250000 0.750000 0.250000 Na\n0.873970 0.873970 0.126030 Bi\n0.373970 0.626030 0.626030 Bi\n0.373970 0.373970 0.373970 Bi\n0.873970 0.126030 0.873970 Bi\n0.626030 0.373970 0.626030 Bi\n0.126030 0.126030 0.126030 Bi\n0.126030 0.873970 0.873970 Bi\n0.626030 0.626030 0.373970 Bi\n0.500000 0.839363 0.000000 Sb\n0.000000 0.339363 0.500000 Sb\n0.339363 0.500000 0.000000 Sb\n0.500000 0.000000 0.660637 Sb\n0.660637 0.500000 0.000000 Sb\n0.160637 0.000000 0.500000 Sb\n0.000000 0.660637 0.500000 Sb\n0.500000 0.000000 0.339363 Sb\n0.000000 0.500000 0.160637 Sb\n0.000000 0.500000 0.839363 Sb\n0.839363 0.000000 0.500000 Sb\n0.500000 0.160637 0.000000 Sb\n0.000000 0.637088 0.000000 O\n0.838507 0.210910 0.500108 O\n0.710910 0.999892 0.338507 O\n0.500000 0.862912 0.500000 O\n0.000000 0.000000 0.637088 O\n0.661493 0.710910 0.000108 O\n0.289090 0.999892 0.661493 O\n0.862912 0.500000 0.500000 O\n0.789090 0.500108 0.161493 O\n0.500000 0.500000 0.137088 O\n0.210910 0.500108 0.838507 O\n0.999892 0.661493 0.289090 O\n0.637088 0.000000 0.000000 O\n0.838507 0.789090 0.499892 O\n0.397165 0.602835 0.397165 O\n0.500000 0.137088 0.500000 O\n0.500108 0.838507 0.210910 O\n0.897165 0.102835 0.102835 O\n0.137088 0.500000 0.500000 O\n0.500000 0.500000 0.862912 O\n0.338507 0.289090 0.000108 O\n0.000108 0.338507 0.289090 O\n0.362912 0.000000 0.000000 O\n0.661493 0.289090 0.999892 O\n0.102835 0.897165 0.102835 O\n0.289090 0.000108 0.338507 O\n0.710910 0.000108 0.661493 O\n0.338507 0.710910 0.999892 O\n0.897165 0.897165 0.897165 O\n0.999892 0.338507 0.710910 O\n0.602835 0.397165 0.397165 O\n0.161493 0.210910 0.499892 O\n0.161493 0.789090 0.500108 O\n0.499892 0.838507 0.789090 O\n0.000000 0.362912 0.000000 O\n0.500108 0.161493 0.789090 O\n0.000108 0.661493 0.710910 O\n0.210910 0.499892 0.161493 O\n0.789090 0.499892 0.838507 O\n0.397165 0.397165 0.602835 O\n0.602835 0.602835 0.602835 O\n0.102835 0.102835 0.897165 O\n0.000000 0.000000 0.362912 O\n0.499892 0.161493 0.210910 O\n",
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{
"id": "mp-1173595",
"created_at": "2022-09-04T14:39:24.961803Z",
"structure_string": "Sr14 Nb6 O29\n1.0\n6.048816 0.000000 0.000000\n2.910362 5.329031 0.000000\n2.202343 0.325574 24.802810\nSr Nb O\n14 6 29\ndirect\n0.072692 0.426924 0.069581 Sr\n0.432408 0.715871 0.238323 Sr\n0.423709 0.789874 0.100349 Sr\n0.777800 0.087569 0.164675 Sr\n0.756611 0.164125 0.466327 Sr\n0.773473 0.045579 0.307026 Sr\n0.101976 0.410948 0.345635 Sr\n0.746230 0.669303 0.680929 Sr\n0.958016 0.039912 0.842966 Sr\n0.055573 0.009146 0.700525 Sr\n0.366536 0.915015 0.546778 Sr\n0.329303 0.369029 0.777189 Sr\n0.305334 0.346662 0.916273 Sr\n0.648764 0.687578 0.941353 Sr\n0.943255 0.987033 0.001299 Nb\n0.123287 0.549593 0.503456 Nb\n0.103147 0.403327 0.205442 Nb\n0.408122 0.354553 0.621157 Nb\n0.399690 0.714611 0.394193 Nb\n0.656494 0.694877 0.809647 Nb\n0.996944 0.281201 0.977940 O\n0.341412 0.162456 0.144890 O\n0.792762 0.520161 0.157693 O\n0.733900 0.832384 0.034386 O\n0.868458 0.643898 0.263997 O\n0.975971 0.075741 0.074225 O\n0.405247 0.293770 0.251486 O\n0.177645 0.663844 0.166751 O\n0.693034 0.402559 0.375209 O\n0.223963 0.757385 0.330578 O\n0.029790 0.131385 0.236267 O\n0.454010 0.995872 0.383367 O\n0.074531 0.272961 0.488626 O\n0.796325 0.792206 0.521081 O\n0.439287 0.271774 0.541720 O\n0.066552 0.703973 0.424875 O\n0.156245 0.669690 0.582587 O\n0.421231 0.630677 0.473682 O\n0.721745 0.326733 0.634789 O\n0.904854 0.380267 0.764082 O\n0.393115 0.759771 0.758752 O\n0.397799 0.044649 0.639412 O\n0.751006 0.930929 0.762123 O\n0.204190 0.534405 0.683477 O\n0.954153 0.615212 0.855813 O\n0.255938 0.684646 0.989643 O\n0.747179 0.050047 0.938903 O\n0.561953 0.468728 0.855790 O\n0.407864 0.987487 0.857151 O\n",
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{
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{
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{
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{
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},
{
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"structure_string": "Cu2 Sn1 Hg1 S4\n1.0\n-2.809066 2.809066 5.540103\n2.809066 -2.809066 5.540103\n2.809066 2.809066 -5.540103\nCu Sn Hg S\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.882091 0.400793 0.000000 S\n0.400793 0.882091 0.000000 S\n0.599207 0.599207 0.481298 S\n0.117909 0.117909 0.518702 S\n",
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],
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"formula_full": "Cu2 Sn1 Hg1 S4",
"formula_reduced": "Cu2SnHgS4",
"formula_anonymous": "ABC2D4",
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{
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"structure_string": "Rb2 Ru1 Au1 F6\n1.0\n0.000000 4.483491 4.483491\n4.483491 0.000000 4.483491\n4.483491 4.483491 0.000000\nRb Ru Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Au\n0.227468 0.227468 0.772532 F\n0.227468 0.772532 0.772532 F\n0.772532 0.772532 0.227468 F\n0.227468 0.772532 0.227468 F\n0.772532 0.227468 0.772532 F\n0.772532 0.227468 0.227468 F\n",
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"volume": 180.2515062722275,
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"formula_full": "Rb2 Ru1 Au1 F6",
"formula_reduced": "Rb2RuAuF6",
"formula_anonymous": "ABC2D6",
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}
]
}