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{
"id": "mp-1222502",
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"structure_string": "Li2 Br2 O2\n1.0\n3.826326 0.000000 0.000000\n0.000000 4.203471 0.000000\n0.000000 0.000000 6.682115\nLi Br O\n2 2 2\ndirect\n0.000000 0.758785 0.250000 Li\n0.000000 0.241215 0.750000 Li\n0.500000 0.294143 0.250000 Br\n0.500000 0.705857 0.750000 Br\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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{
"id": "mp-1096546",
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"density": 0.6964836107807056,
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"formula_full": "Sc1 Ga2 Os1",
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{
"id": "mp-1210575",
"created_at": "2022-09-04T14:43:10.687639Z",
"structure_string": "Mg1 Ag1 F3\n1.0\n4.399469 0.000000 0.000000\n0.000000 4.399469 0.000000\n0.000000 0.000000 4.399469\nMg Ag F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n",
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"volume": 85.15316324173547,
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"formula_full": "Mg1 Ag1 F3",
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{
"id": "mp-1223217",
"created_at": "2022-09-04T14:43:10.699662Z",
"structure_string": "La8 Ti6 S8 O16\n1.0\n1.947532 9.323719 0.000000\n-1.947532 9.323719 0.000000\n0.000000 6.182889 16.929220\nLa Ti S O\n8 6 8 16\ndirect\n0.690344 0.687433 0.823109 La\n0.312567 0.309656 0.176891 La\n0.449852 0.449747 0.684379 La\n0.550253 0.550148 0.315621 La\n0.202594 0.202559 0.429046 La\n0.797441 0.797406 0.570954 La\n0.357900 0.373172 0.937445 La\n0.626828 0.642100 0.062555 La\n0.016357 0.003780 0.811529 Ti\n0.996220 0.983643 0.188471 Ti\n0.000095 0.999905 0.500000 Ti\n0.149866 0.150307 0.671157 Ti\n0.849693 0.850134 0.328843 Ti\n0.816393 0.183607 0.000000 Ti\n0.132386 0.134704 0.190527 S\n0.865296 0.867614 0.809473 S\n0.283288 0.283414 0.698152 S\n0.716586 0.716712 0.301848 S\n0.422891 0.422945 0.471711 S\n0.577055 0.577109 0.528289 S\n0.214646 0.208401 0.935755 S\n0.791599 0.785354 0.064245 S\n0.041885 0.044579 0.692946 O\n0.955421 0.958115 0.307054 O\n0.215471 0.215332 0.564883 O\n0.784668 0.784529 0.435117 O\n0.067391 0.067335 0.395121 O\n0.932665 0.932609 0.604879 O\n0.115106 0.112964 0.797486 O\n0.887036 0.884894 0.202514 O\n0.488994 0.498023 0.809396 O\n0.501977 0.511006 0.190604 O\n0.601206 0.547563 0.948386 O\n0.452437 0.398794 0.051614 O\n0.665019 0.664769 0.678152 O\n0.335231 0.334981 0.321848 O\n0.032374 0.052830 0.075644 O\n0.947170 0.967626 0.924356 O\n",
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"elements": [
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"chemical_system": "La-O-S-Ti",
"density": 5.1612999430087525,
"density_atomic": 0.06180774138432143,
"volume": 614.809717179527,
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"formula_full": "La8 Ti6 S8 O16",
"formula_reduced": "La4Ti3(SO2)4",
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"spacegroup": 5
},
{
"id": "mp-1187839",
"created_at": "2022-09-04T14:43:11.386352Z",
"structure_string": "Tm2 Pu6\n1.0\n3.427441 -5.936502 0.000000\n3.427441 5.936502 0.000000\n0.000000 0.000000 5.544525\nTm Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.164087 0.328173 0.250000 Pu\n0.671827 0.835913 0.250000 Pu\n0.164087 0.835913 0.250000 Pu\n0.835913 0.671827 0.750000 Pu\n0.328173 0.164087 0.750000 Pu\n0.835913 0.164087 0.750000 Pu\n",
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"formula_full": "Tm2 Pu6",
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},
{
"id": "mp-1035434",
"created_at": "2022-09-04T14:43:10.664828Z",
"structure_string": "Li1 Mg14 Cr1 O16\n1.0\n8.520749 0.000000 0.000000\n0.000000 8.520749 0.000000\n0.000000 0.000000 4.230618\nLi Mg Cr O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.242479 0.500000 Mg\n0.000000 0.757521 0.500000 Mg\n0.500000 0.245026 0.500000 Mg\n0.500000 0.754974 0.500000 Mg\n0.242479 0.000000 0.500000 Mg\n0.245026 0.500000 0.500000 Mg\n0.757521 0.000000 0.500000 Mg\n0.754974 0.500000 0.500000 Mg\n0.243094 0.243094 0.000000 Mg\n0.243094 0.756906 0.000000 Mg\n0.756906 0.243094 0.000000 Mg\n0.756906 0.756906 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.260554 0.000000 0.000000 O\n0.260644 0.500000 0.000000 O\n0.739446 0.000000 0.000000 O\n0.739356 0.500000 0.000000 O\n0.251896 0.251896 0.500000 O\n0.251896 0.748104 0.500000 O\n0.748104 0.251896 0.500000 O\n0.748104 0.748104 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.260554 0.000000 O\n0.000000 0.739446 0.000000 O\n0.500000 0.260644 0.000000 O\n0.500000 0.739356 0.000000 O\n",
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{
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"structure_string": "U4 Te1 Se7\n1.0\n4.170615 0.000000 0.000000\n0.000000 7.613506 0.000000\n0.000000 0.069483 9.156242\nU Te Se\n4 1 7\ndirect\n0.500000 0.764263 0.139771 U\n0.500000 0.255547 0.369840 U\n0.000000 0.222464 0.865295 U\n0.000000 0.753057 0.621929 U\n0.500000 0.535717 0.836960 Te\n0.500000 0.638073 0.432593 Se\n0.500000 0.144151 0.070365 Se\n0.000000 0.359435 0.568019 Se\n0.000000 0.853150 0.932215 Se\n0.500000 0.030719 0.664293 Se\n0.000000 0.471892 0.163723 Se\n0.000000 0.971531 0.334998 Se\n",
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{
"id": "mp-1226442",
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"structure_string": "Cs8 V4 H8 O8 F16\n1.0\n7.994462 -3.282274 0.104696\n0.000841 6.789349 -7.331729\n0.000849 6.343667 6.913135\nCs V H O F\n8 4 8 8 16\ndirect\n0.489483 0.497170 0.747394 Cs\n0.489436 0.997489 0.247387 Cs\n0.510596 0.002690 0.752493 Cs\n0.510535 0.502634 0.252695 Cs\n0.886668 0.346598 0.596577 Cs\n0.886585 0.846536 0.096536 Cs\n0.113219 0.153400 0.903389 Cs\n0.113353 0.653441 0.403423 Cs\n0.254311 0.688609 0.938728 V\n0.745967 0.811360 0.561331 V\n0.253750 0.188571 0.438560 V\n0.745716 0.311349 0.061252 V\n0.901025 0.569382 0.927883 H\n0.900655 0.069326 0.427716 H\n0.099322 0.868978 0.727635 H\n0.099111 0.368959 0.227572 H\n0.099239 0.930661 0.572257 H\n0.099191 0.430700 0.072263 H\n0.901021 0.631080 0.772540 H\n0.900618 0.131022 0.272300 H\n0.462434 0.240629 0.491059 O\n0.463118 0.740736 0.991201 O\n0.536975 0.259341 0.008880 O\n0.537164 0.759231 0.508837 O\n0.972454 0.618159 0.868083 O\n0.972037 0.118139 0.367883 O\n0.027846 0.881899 0.632088 O\n0.027701 0.381876 0.131996 O\n0.212983 0.227548 0.631285 F\n0.213419 0.727673 0.131385 F\n0.786121 0.370467 0.274293 F\n0.786286 0.870529 0.774293 F\n0.786675 0.272528 0.868601 F\n0.787022 0.772344 0.368748 F\n0.213674 0.129461 0.225599 F\n0.214002 0.629446 0.725756 F\n0.777575 0.511040 0.032513 F\n0.777568 0.010930 0.532444 F\n0.222503 0.372452 0.393894 F\n0.222838 0.872462 0.893903 F\n0.222364 0.988958 0.467507 F\n0.222596 0.489060 0.967686 F\n0.777321 0.127598 0.105967 F\n0.777524 0.627540 0.606167 F\n",
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{
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"structure_string": "Zn2 Sb4 O8\n1.0\n-3.114926 3.532480 4.711829\n3.114926 -3.532480 4.711829\n3.114926 3.532480 -4.711829\nZn Sb O\n2 4 8\ndirect\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.901877 0.151877 0.750000 Sb\n0.098123 0.848123 0.250000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.689425 0.739283 0.950141 O\n0.242472 0.745784 0.003312 O\n0.289142 0.739283 0.549859 O\n0.242472 0.239160 0.496688 O\n0.757528 0.760840 0.503312 O\n0.757528 0.254216 0.996688 O\n0.710858 0.260717 0.450141 O\n0.310575 0.260717 0.049859 O\n",
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},
{
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],
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"formula_full": "Y1 N1",
"formula_reduced": "YN",
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]
}