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{
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{
"id": "mp-1218601",
"created_at": "2022-09-04T14:45:54.153115Z",
"structure_string": "Sr3 Ca1 Ni2 W2 O12\n1.0\n5.623330 -0.005066 -0.000326\n-0.005062 5.651136 -0.004817\n-0.005079 -0.006578 7.957696\nSr Ca Ni W O\n3 1 2 2 12\ndirect\n0.493754 0.971343 0.749128 Sr\n0.004211 0.475851 0.750030 Sr\n0.504127 0.025440 0.250810 Sr\n0.993871 0.538616 0.248428 Ca\n0.999964 0.001345 0.001260 Ni\n0.499745 0.498979 0.497968 Ni\n0.498627 0.499530 0.002993 W\n0.001465 0.999893 0.497464 W\n0.058743 0.969915 0.257566 O\n0.558748 0.502121 0.760854 O\n0.939763 0.017609 0.739282 O\n0.421187 0.494924 0.241917 O\n0.210168 0.728029 0.533114 O\n0.712017 0.769892 0.032759 O\n0.800169 0.277446 0.456676 O\n0.293099 0.225267 0.970637 O\n0.275536 0.207627 0.526157 O\n0.775494 0.296072 0.043337 O\n0.729083 0.787663 0.471514 O\n0.230228 0.712436 0.968108 O\n",
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{
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"updated_at": "2021-11-28T01:36:46.891000Z",
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},
{
"id": "mp-1193894",
"created_at": "2022-09-04T14:45:09.859200Z",
"structure_string": "Cs12 Sb4 S12\n1.0\n10.481500 0.000000 0.000000\n0.000000 10.481500 0.000000\n0.000000 0.000000 10.481500\nCs Sb S\n12 4 12\ndirect\n0.441993 0.941993 0.558007 Cs\n0.941993 0.558007 0.441993 Cs\n0.558007 0.441993 0.941993 Cs\n0.058007 0.058007 0.058007 Cs\n0.940572 0.440572 0.059428 Cs\n0.440572 0.059428 0.940572 Cs\n0.059428 0.940572 0.440572 Cs\n0.559428 0.559428 0.559428 Cs\n0.679483 0.179483 0.320517 Cs\n0.179483 0.320517 0.679483 Cs\n0.320517 0.679483 0.179483 Cs\n0.820517 0.820517 0.820517 Cs\n0.224618 0.724618 0.775382 Sb\n0.724618 0.775382 0.224618 Sb\n0.775382 0.224618 0.724618 Sb\n0.275382 0.275382 0.275382 Sb\n0.158222 0.949204 0.758372 S\n0.241628 0.658222 0.550796 S\n0.449204 0.741628 0.841778 S\n0.658222 0.550796 0.241628 S\n0.741628 0.841778 0.449204 S\n0.949204 0.758372 0.158222 S\n0.841778 0.449204 0.741628 S\n0.758372 0.158222 0.949204 S\n0.550796 0.241628 0.658222 S\n0.341778 0.050796 0.258372 S\n0.258372 0.341778 0.050796 S\n0.050796 0.258372 0.341778 S\n",
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"volume": 1151.516899543375,
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"formula_full": "Cs12 Sb4 S12",
"formula_reduced": "Cs3SbS3",
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"spacegroup": 198
},
{
"id": "mp-28726",
"created_at": "2022-09-04T14:45:07.810651Z",
"structure_string": "K18 Y18 F72\n1.0\n7.132088 -12.353138 0.000000\n7.132088 12.353138 0.000000\n0.000000 0.000000 10.313994\nK Y F\n18 18 72\ndirect\n0.781917 0.720759 0.322909 K\n0.279241 0.061158 0.656242 K\n0.938842 0.218083 0.989576 K\n0.267115 0.220796 0.350542 K\n0.779204 0.046319 0.683875 K\n0.953681 0.732885 0.017208 K\n0.102745 0.393778 0.318954 K\n0.606222 0.708967 0.652287 K\n0.291033 0.897255 0.985620 K\n0.608220 0.876166 0.347516 K\n0.123834 0.732054 0.680849 K\n0.267946 0.391780 0.014182 K\n0.947569 0.563069 0.345921 K\n0.436931 0.384500 0.679254 K\n0.615500 0.052431 0.012587 K\n0.456072 0.065578 0.316799 K\n0.934422 0.390493 0.650133 K\n0.609507 0.543928 0.983466 K\n0.130973 0.890373 0.332208 Y\n0.109627 0.240600 0.665541 Y\n0.759400 0.869027 0.998875 Y\n0.282638 0.731871 0.320665 Y\n0.268129 0.550768 0.653999 Y\n0.449232 0.717362 0.987332 Y\n0.778919 0.205907 0.340554 Y\n0.794093 0.573012 0.673888 Y\n0.426988 0.221081 0.007221 Y\n0.941815 0.058690 0.327804 Y\n0.941310 0.883125 0.661137 Y\n0.116875 0.058185 0.994470 Y\n0.454013 0.546429 0.325710 Y\n0.453571 0.907583 0.659044 Y\n0.092417 0.545987 0.992377 Y\n0.604705 0.387190 0.346280 Y\n0.612810 0.217515 0.679614 Y\n0.782485 0.395295 0.012947 Y\n0.132287 0.936049 0.115605 F\n0.063951 0.196238 0.448938 F\n0.803762 0.867713 0.782271 F\n0.069000 0.877546 0.541346 F\n0.122454 0.191454 0.874680 F\n0.808546 0.931000 0.208013 F\n0.212060 0.593858 0.466799 F\n0.406142 0.618202 0.800133 F\n0.381798 0.787940 0.133466 F\n0.332175 0.728819 0.655725 F\n0.271181 0.603356 0.989059 F\n0.396644 0.667825 0.322392 F\n0.735235 0.202798 0.556527 F\n0.797202 0.532437 0.889860 F\n0.467563 0.264765 0.223194 F\n0.788817 0.268178 0.131559 F\n0.731822 0.520639 0.464892 F\n0.479361 0.211183 0.798226 F\n0.999796 0.060109 0.664220 F\n0.939891 0.939687 0.997554 F\n0.060313 0.000204 0.330887 F\n0.045373 0.122048 0.144252 F\n0.877952 0.923324 0.477585 F\n0.076676 0.954627 0.810918 F\n0.391192 0.538236 0.534063 F\n0.461764 0.852957 0.867396 F\n0.147043 0.608808 0.200729 F\n0.458356 0.591268 0.109371 F\n0.408732 0.867088 0.442704 F\n0.132912 0.541644 0.776037 F\n0.547999 0.291703 0.535111 F\n0.708297 0.256296 0.868444 F\n0.743704 0.452001 0.201777 F\n0.606090 0.342466 0.008962 F\n0.657534 0.263624 0.342295 F\n0.736376 0.393910 0.675628 F\n0.768115 0.729280 0.067936 F\n0.270720 0.038834 0.401270 F\n0.961166 0.231885 0.734603 F\n0.807540 0.723193 0.577818 F\n0.276807 0.084347 0.911151 F\n0.915653 0.192460 0.244485 F\n0.246991 0.222768 0.607591 F\n0.777232 0.024223 0.940924 F\n0.975777 0.753009 0.274257 F\n0.807745 0.074160 0.431575 F\n0.925840 0.733586 0.764909 F\n0.266414 0.192255 0.098242 F\n0.128611 0.393422 0.571144 F\n0.606578 0.735189 0.904477 F\n0.264811 0.871389 0.237810 F\n0.092585 0.402781 0.065483 F\n0.597219 0.689804 0.398816 F\n0.310196 0.907415 0.732149 F\n0.152734 0.754297 0.423892 F\n0.245703 0.398437 0.757225 F\n0.601563 0.847266 0.090559 F\n0.586721 0.881608 0.605061 F\n0.118392 0.705113 0.938394 F\n0.294887 0.413279 0.271728 F\n0.938570 0.575698 0.600273 F\n0.424302 0.362872 0.933606 F\n0.637128 0.061430 0.266939 F\n0.943043 0.532993 0.091955 F\n0.467007 0.410050 0.425289 F\n0.589950 0.056957 0.758622 F\n0.481783 0.068685 0.572237 F\n0.931315 0.413098 0.905570 F\n0.586902 0.518217 0.238903 F\n0.454318 0.088411 0.059755 F\n0.911589 0.365907 0.393088 F\n0.634093 0.545682 0.726421 F\n",
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"elements": [
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],
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"density": 3.3550280148885707,
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"volume": 1817.4013916583388,
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"formula_full": "K18 Y18 F72",
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"updated_at": "2021-11-28T01:36:45.661000Z",
"spacegroup": 144
},
{
"id": "mp-28680",
"created_at": "2022-09-04T14:45:08.322779Z",
"structure_string": "K6 Ga6 Br24\n1.0\n7.298633 -11.500469 0.000000\n7.298633 11.500469 0.000000\n-10.822677 0.000000 8.270458\nK Ga Br\n6 6 24\ndirect\n0.882833 0.693371 0.097651 K\n0.097651 0.882833 0.693371 K\n0.693371 0.097651 0.882833 K\n0.193371 0.382833 0.597651 K\n0.597651 0.193371 0.382833 K\n0.382833 0.597651 0.193371 K\n0.872042 0.083896 0.687328 Ga\n0.687328 0.872042 0.083896 Ga\n0.083896 0.687328 0.872042 Ga\n0.583896 0.372042 0.187328 Ga\n0.187328 0.583896 0.372042 Ga\n0.372042 0.187328 0.583896 Ga\n0.963981 0.122006 0.904462 Br\n0.904462 0.963981 0.122006 Br\n0.122006 0.904462 0.963981 Br\n0.622006 0.463981 0.404462 Br\n0.404462 0.622006 0.463981 Br\n0.463981 0.404462 0.622006 Br\n0.076675 0.324498 0.784713 Br\n0.784713 0.076675 0.324498 Br\n0.324498 0.784713 0.076675 Br\n0.824498 0.576675 0.284713 Br\n0.284713 0.824498 0.576675 Br\n0.576675 0.284713 0.824498 Br\n0.638396 0.022151 0.563611 Br\n0.563611 0.638396 0.022151 Br\n0.022151 0.563611 0.638396 Br\n0.522151 0.138396 0.063611 Br\n0.063611 0.522151 0.138396 Br\n0.138396 0.063611 0.522151 Br\n0.803368 0.864429 0.492388 Br\n0.492388 0.803368 0.864429 Br\n0.864429 0.492388 0.803368 Br\n0.364429 0.303368 0.992388 Br\n0.992388 0.364429 0.303368 Br\n0.303368 0.992388 0.364429 Br\n",
"nsites": 36,
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"formula_full": "K6 Ga6 Br24",
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"spacegroup": 161
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{
"id": "mp-1035266",
"created_at": "2022-09-04T14:45:08.280635Z",
"structure_string": "Mg14 Cu1 Bi1 O16\n1.0\n8.734504 0.000000 0.000000\n0.000000 8.700775 0.000000\n0.000000 0.000000 4.375639\nMg Cu Bi O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.229687 0.500000 Mg\n-0.000000 0.770313 0.500000 Mg\n0.500000 0.245591 0.500000 Mg\n0.500000 0.754409 0.500000 Mg\n0.248568 0.000000 0.500000 Mg\n0.264521 0.500000 0.500000 Mg\n0.751432 0.000000 0.500000 Mg\n0.735479 0.500000 0.500000 Mg\n0.255399 0.237064 -0.000000 Mg\n0.255399 0.762936 0.000000 Mg\n0.744601 0.237064 -0.000000 Mg\n0.744601 0.762936 0.000000 Mg\n-0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 0.000000 Bi\n0.270964 0.000000 -0.000000 O\n0.267828 0.500000 0.000000 O\n0.729036 0.000000 0.000000 O\n0.732172 0.500000 -0.000000 O\n0.248546 0.251513 0.500000 O\n0.248546 0.748487 0.500000 O\n0.751454 0.251513 0.500000 O\n0.751454 0.748487 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.236599 0.000000 O\n-0.000000 0.763401 -0.000000 O\n0.500000 0.251677 0.000000 O\n0.500000 0.748323 -0.000000 O\n",
"nsites": 32,
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"volume": 332.5352359812569,
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{
"id": "mp-1229049",
"created_at": "2022-09-04T14:45:10.149951Z",
"structure_string": "As4 Br4 O4 F32\n1.0\n8.880048 0.000000 0.000000\n0.000000 8.860144 0.000000\n0.000000 0.061491 8.886320\nAs Br O F\n4 4 4 32\ndirect\n0.635032 0.886014 0.636031 As\n0.864897 0.614680 0.134510 As\n0.364897 0.385320 0.865490 As\n0.135032 0.113986 0.363969 As\n0.779616 0.454095 0.696163 Br\n0.196313 0.970374 0.795800 Br\n0.696313 0.029626 0.204200 Br\n0.279616 0.545905 0.303837 Br\n0.715286 0.381165 0.547130 O\n0.047097 0.034606 0.869215 O\n0.547097 0.965394 0.130785 O\n0.215286 0.618835 0.452870 O\n0.641217 0.680917 0.620691 F\n0.880864 0.613506 0.934395 F\n0.569721 0.370013 0.859058 F\n0.361051 0.179365 0.878232 F\n0.122317 0.109696 0.568812 F\n0.434872 0.869448 0.637665 F\n0.861051 0.820635 0.121768 F\n0.622317 0.890304 0.431188 F\n0.934872 0.130552 0.362335 F\n0.141217 0.319083 0.379309 F\n0.380864 0.386494 0.065605 F\n0.069721 0.629987 0.140942 F\n0.622067 0.082623 0.638551 F\n0.861507 0.628606 0.330962 F\n0.168845 0.388391 0.877990 F\n0.379479 0.581613 0.859110 F\n0.140271 0.129343 0.168090 F\n0.831334 0.889190 0.621212 F\n0.879479 0.418387 0.140890 F\n0.640271 0.870657 0.831910 F\n0.331334 0.110810 0.378788 F\n0.122067 0.917377 0.361449 F\n0.361507 0.371394 0.669038 F\n0.668845 0.611609 0.122010 F\n0.954967 0.530649 0.635720 F\n0.873441 0.300000 0.784647 F\n0.284029 0.876093 0.949578 F\n0.135776 0.795187 0.720010 F\n0.784029 0.123907 0.050422 F\n0.635776 0.204813 0.279990 F\n0.454967 0.469351 0.364280 F\n0.373441 0.700000 0.215353 F\n",
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},
{
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"structure_string": "Na1 Au1 C2\n1.0\n3.810663 0.000000 0.000000\n0.000000 3.810663 0.000000\n0.000000 0.000000 5.246044\nNa Au C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.618943 C\n0.000000 0.000000 0.381057 C\n",
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"updated_at": "2021-11-28T01:36:49.194000Z",
"spacegroup": 216
}
]
}