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{
"id": "mp-556606",
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{
"id": "mp-1044589",
"created_at": "2022-09-04T14:40:42.074438Z",
"structure_string": "Ba6 Bi6 F33\n1.0\n3.943583 -6.830486 0.000000\n3.943583 6.830486 0.000000\n0.000000 0.000000 15.397321\nBa Bi F\n6 6 33\ndirect\n0.852958 0.823493 0.651404 Ba\n0.468345 0.076988 0.815711 Ba\n0.970535 0.147042 0.984737 Ba\n0.923012 0.391357 0.482377 Ba\n0.608643 0.531655 0.149044 Ba\n0.176507 0.029465 0.318070 Ba\n0.861642 0.637155 0.895581 Bi\n0.180627 0.469358 0.728852 Bi\n0.530642 0.711268 0.395518 Bi\n0.775513 0.138358 0.228915 Bi\n0.288732 0.819373 0.062185 Bi\n0.362845 0.224487 0.562248 Bi\n0.983248 0.738809 0.043327 F\n0.775450 0.338120 0.937839 F\n0.755561 0.016752 0.376661 F\n0.512479 0.143924 0.466716 F\n0.896176 0.938390 0.187388 F\n0.276132 0.264373 0.192587 F\n0.856076 0.368555 0.133383 F\n0.735627 0.011759 0.859254 F\n0.042213 0.103824 0.520721 F\n0.608843 0.974205 0.086535 F\n0.631445 0.487521 0.800050 F\n0.261191 0.244439 0.709994 F\n0.659324 0.669567 0.979142 F\n0.338851 0.101052 0.013733 F\n0.010243 0.340676 0.312476 F\n0.661880 0.437330 0.604505 F\n0.242380 0.754846 0.921905 F\n0.365362 0.391157 0.419868 F\n0.262975 0.723996 0.403009 F\n0.330433 0.989757 0.645809 F\n0.461021 0.737025 0.736343 F\n0.898948 0.237799 0.680400 F\n0.762201 0.661149 0.347067 F\n0.512466 0.757620 0.255239 F\n0.025795 0.634638 0.753202 F\n0.061610 0.957787 0.854055 F\n0.562670 0.224550 0.271172 F\n0.176150 0.390360 0.862336 F\n0.214209 0.823850 0.195669 F\n0.276004 0.538979 0.069676 F\n0.988241 0.723868 0.525921 F\n0.245154 0.487534 0.588572 F\n0.609640 0.785791 0.529003 F\n",
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},
{
"id": "mp-769377",
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"structure_string": "Sb4 S4 O16 F12\n1.0\n5.462643 0.000000 0.000000\n0.000000 9.199412 0.000000\n0.000000 0.000000 12.753502\nSb S O F\n4 4 16 12\ndirect\n0.089673 0.988796 0.505300 Sb\n0.410327 0.011204 0.005300 Sb\n0.589673 0.511204 0.494700 Sb\n0.910327 0.488796 0.994700 Sb\n0.047191 0.208697 0.160294 S\n0.452809 0.791303 0.660294 S\n0.547191 0.291303 0.839706 S\n0.952809 0.708697 0.339706 S\n0.124108 0.129162 0.053498 O\n0.085783 0.847129 0.388667 O\n0.151121 0.629084 0.293363 O\n0.259110 0.248660 0.218474 O\n0.240890 0.751340 0.718474 O\n0.348879 0.370916 0.793363 O\n0.414217 0.152871 0.888667 O\n0.375892 0.870838 0.553498 O\n0.624108 0.370838 0.946502 O\n0.585783 0.652871 0.611333 O\n0.651121 0.870916 0.706637 O\n0.759110 0.251340 0.781526 O\n0.740890 0.748660 0.281526 O\n0.848879 0.129084 0.206637 O\n0.914217 0.347129 0.111333 O\n0.875892 0.629162 0.446502 O\n0.047350 0.071574 0.639202 F\n0.227773 0.551225 0.033203 F\n0.282092 0.127592 0.437916 F\n0.217908 0.872408 0.937916 F\n0.272227 0.448775 0.533203 F\n0.452650 0.928426 0.139202 F\n0.547350 0.428426 0.360798 F\n0.727773 0.948775 0.966797 F\n0.782092 0.372408 0.562084 F\n0.717908 0.627592 0.062084 F\n0.772227 0.051225 0.466797 F\n0.952650 0.571574 0.860798 F\n",
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"formula_full": "Sb4 S4 O16 F12",
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"spacegroup": 19
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{
"id": "mp-1260237",
"created_at": "2022-09-04T14:40:42.206393Z",
"structure_string": "Mg6 Si8 Ag4 O28\n1.0\n3.867991 8.851812 0.000000\n-3.867991 8.851812 0.000000\n0.000000 5.926137 8.409244\nMg Si Ag O\n6 8 4 28\ndirect\n0.055565 0.281855 0.124057 Mg\n0.718145 0.944435 0.375943 Mg\n0.281855 0.055565 0.624057 Mg\n0.388799 0.611201 0.750000 Mg\n0.944435 0.718145 0.875943 Mg\n0.611201 0.388799 0.250000 Mg\n0.567996 0.048090 0.706427 Si\n0.048090 0.567996 0.206427 Si\n0.489828 0.275151 0.110030 Si\n0.275151 0.489828 0.610030 Si\n0.951910 0.432004 0.793573 Si\n0.510172 0.724849 0.889970 Si\n0.724849 0.510172 0.389970 Si\n0.432004 0.951910 0.293573 Si\n0.776600 0.223400 0.750000 Ag\n0.223400 0.776600 0.250000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.802471 0.353355 0.308137 O\n0.961934 0.898031 0.404160 O\n0.475041 0.618611 0.082347 O\n0.898031 0.961934 0.904160 O\n0.209202 0.050375 0.294338 O\n0.089706 0.498404 0.626725 O\n0.618611 0.475041 0.582347 O\n0.949625 0.790798 0.205662 O\n0.910294 0.501596 0.373275 O\n0.577978 0.724095 0.284324 O\n0.038066 0.101969 0.595840 O\n0.790798 0.949625 0.705662 O\n0.501596 0.910294 0.873275 O\n0.353355 0.802471 0.808137 O\n0.724095 0.577978 0.784324 O\n0.050375 0.209202 0.794338 O\n0.950422 0.459734 0.935752 O\n0.422022 0.275905 0.715676 O\n0.540266 0.049578 0.564248 O\n0.275905 0.422022 0.215676 O\n0.498404 0.089706 0.126725 O\n0.101969 0.038066 0.095840 O\n0.459734 0.950422 0.435752 O\n0.524959 0.381389 0.917653 O\n0.049578 0.540266 0.064248 O\n0.381389 0.524959 0.417653 O\n0.646645 0.197529 0.191863 O\n0.197529 0.646645 0.691863 O\n",
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"formula_full": "Mg6 Si8 Ag4 O28",
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{
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"structure_string": "Sr12 Sb16 S36\n1.0\n4.062633 0.000000 0.000000\n0.000000 16.723424 0.000000\n0.000000 0.000000 24.481343\nSr Sb S\n12 16 36\ndirect\n0.756338 0.378089 0.055137 Sr\n0.256338 0.621911 0.944863 Sr\n0.256338 0.121911 0.555137 Sr\n0.756338 0.878089 0.444863 Sr\n0.757505 0.174853 0.176028 Sr\n0.257505 0.825147 0.823972 Sr\n0.257505 0.325147 0.676028 Sr\n0.757505 0.674853 0.323972 Sr\n0.760196 0.443441 0.233542 Sr\n0.260196 0.556559 0.766458 Sr\n0.260196 0.056559 0.733542 Sr\n0.760196 0.943441 0.266458 Sr\n0.727232 0.832400 0.988741 Sb\n0.227232 0.167600 0.011259 Sb\n0.227232 0.667600 0.488741 Sb\n0.727232 0.332400 0.511259 Sb\n0.236878 0.090924 0.394521 Sb\n0.736878 0.909076 0.605479 Sb\n0.736878 0.409076 0.894521 Sb\n0.236878 0.590924 0.105479 Sb\n0.205684 0.257000 0.322510 Sb\n0.705684 0.743000 0.677490 Sb\n0.705684 0.243000 0.822510 Sb\n0.205684 0.757000 0.177490 Sb\n0.209480 0.472520 0.389174 Sb\n0.709480 0.527480 0.610826 Sb\n0.709480 0.027480 0.889174 Sb\n0.209480 0.972520 0.110826 Sb\n0.786682 0.640975 0.192382 S\n0.286682 0.359025 0.807618 S\n0.286682 0.859025 0.692382 S\n0.786682 0.140975 0.307618 S\n0.766687 0.561144 0.037489 S\n0.266687 0.438856 0.962511 S\n0.266687 0.938856 0.537489 S\n0.766687 0.061144 0.462511 S\n0.255908 0.451623 0.138307 S\n0.755908 0.548377 0.861693 S\n0.755908 0.048377 0.638307 S\n0.255908 0.951623 0.361693 S\n0.254835 0.251937 0.093447 S\n0.754835 0.748063 0.906553 S\n0.754835 0.248063 0.593447 S\n0.772543 0.563959 0.427856 S\n0.254835 0.751937 0.406553 S\n0.278152 0.132718 0.847009 S\n0.278152 0.632718 0.652991 S\n0.778152 0.367282 0.347009 S\n0.257109 0.541782 0.300219 S\n0.757109 0.458218 0.699781 S\n0.757109 0.958218 0.800219 S\n0.257109 0.041782 0.199781 S\n0.247592 0.797197 0.273823 S\n0.747592 0.202803 0.726177 S\n0.747592 0.702803 0.773823 S\n0.247592 0.297197 0.226177 S\n0.255280 0.256211 0.468204 S\n0.755280 0.743789 0.531796 S\n0.755280 0.243789 0.968204 S\n0.255280 0.756211 0.031796 S\n0.772543 0.063959 0.072144 S\n0.272543 0.936041 0.927856 S\n0.272543 0.436041 0.572144 S\n0.778152 0.867282 0.152991 S\n",
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{
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"structure_string": "Cs2 H2 S4 O12 F4\n1.0\n3.919295 6.771822 0.000000\n-3.919295 6.771822 0.000000\n0.000000 5.950119 7.487479\nCs H S O F\n2 2 4 12 4\ndirect\n0.115709 0.884291 0.750000 Cs\n0.884291 0.115709 0.250000 Cs\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.000000 H\n0.824112 0.515721 0.780900 S\n0.484279 0.175888 0.719100 S\n0.175888 0.484279 0.219100 S\n0.515721 0.824112 0.280900 S\n0.860846 0.289924 0.850234 O\n0.710076 0.139154 0.649766 O\n0.139154 0.710076 0.149766 O\n0.289924 0.860846 0.350234 O\n0.835593 0.600585 0.875442 O\n0.399415 0.164407 0.624558 O\n0.164407 0.399415 0.124558 O\n0.600585 0.835593 0.375442 O\n0.934891 0.609383 0.582472 O\n0.390617 0.065109 0.917528 O\n0.065109 0.390617 0.417528 O\n0.609383 0.934891 0.082472 O\n0.579456 0.617727 0.797148 F\n0.382273 0.420544 0.702852 F\n0.420544 0.382273 0.202852 F\n0.617727 0.579456 0.297148 F\n",
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{
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