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{
"id": "mp-657300",
"created_at": "2022-09-04T14:47:43.924683Z",
"structure_string": "Rh12 S12 Cl60\n1.0\n-6.977175 0.000000 0.000000\n-3.480692 -13.462044 0.000000\n-3.427881 -0.095665 24.031911\nRh S Cl\n12 12 60\ndirect\n0.936895 0.281876 0.937776 Rh\n0.312892 0.206844 0.416167 Rh\n0.062013 0.706450 0.915796 Rh\n0.017780 0.488282 0.852181 Rh\n0.680585 0.794617 0.584875 Rh\n0.153138 0.218164 0.562465 Rh\n0.065356 0.717667 0.062031 Rh\n0.936808 0.294350 0.084830 Rh\n0.355512 0.011054 0.648125 Rh\n0.639922 0.990401 0.352501 Rh\n0.845156 0.781899 0.438036 Rh\n0.980299 0.511618 0.147440 Rh\n0.919600 0.870291 0.913256 S\n0.296161 0.370615 0.414425 S\n0.751424 0.485755 0.218354 S\n0.701929 0.630229 0.587023 S\n0.079382 0.130425 0.087455 S\n0.725527 0.255564 0.881610 S\n0.250605 0.514552 0.782452 S\n0.275815 0.743131 0.119045 S\n0.542059 0.987407 0.718714 S\n0.455203 0.012883 0.281787 S\n0.138680 0.757004 0.381713 S\n0.860666 0.242607 0.618672 S\n0.171513 0.042405 0.567747 Cl\n0.382402 0.106980 0.068473 Cl\n0.932634 0.915470 0.832492 Cl\n0.558229 0.392032 0.433649 Cl\n0.530633 0.817098 0.501628 Cl\n0.436302 0.608493 0.568925 Cl\n0.691158 0.288156 0.159994 Cl\n0.686446 0.584559 0.668022 Cl\n0.152284 0.318126 0.001927 Cl\n0.579512 0.154741 0.917578 Cl\n0.649494 0.344631 0.582505 Cl\n0.371027 0.840310 0.642061 Cl\n0.145138 0.340433 0.142016 Cl\n0.338050 0.184733 0.639207 Cl\n0.215042 0.542195 0.067687 Cl\n0.329344 0.387775 0.734796 Cl\n0.123261 0.679731 0.313334 Cl\n0.906243 0.887106 0.056979 Cl\n0.276890 0.734720 0.978715 Cl\n0.133895 0.214768 0.340274 Cl\n0.825188 0.958170 0.433000 Cl\n0.555877 0.887708 0.233845 Cl\n0.615422 0.890774 0.932776 Cl\n0.314806 0.416086 0.333741 Cl\n0.447597 0.888863 0.774096 Cl\n0.660890 0.816292 0.361490 Cl\n0.835462 0.684461 0.138465 Cl\n0.348969 0.655006 0.417629 Cl\n0.309918 0.715050 0.839795 Cl\n0.622958 0.161565 0.357654 Cl\n0.450105 0.114173 0.765643 Cl\n0.774478 0.472592 0.084091 Cl\n0.850661 0.612998 0.442217 Cl\n0.048430 0.043662 0.705509 Cl\n0.008768 0.235758 0.478725 Cl\n0.100547 0.111943 0.942820 Cl\n0.163835 0.316077 0.861785 Cl\n0.118663 0.820409 0.186912 Cl\n0.116457 0.614047 0.727534 Cl\n0.664673 0.972786 0.584604 Cl\n0.061924 0.087509 0.168716 Cl\n0.850808 0.681391 0.997856 Cl\n0.885945 0.385717 0.272655 Cl\n0.856403 0.788384 0.661747 Cl\n0.783960 0.456455 0.932228 Cl\n0.224787 0.528218 0.915979 Cl\n0.802379 0.457489 0.793812 Cl\n0.989294 0.764776 0.522383 Cl\n0.468937 0.181885 0.498792 Cl\n0.149502 0.387206 0.558645 Cl\n0.881619 0.180037 0.813172 Cl\n0.420649 0.844777 0.082238 Cl\n0.330749 0.028126 0.415369 Cl\n0.674209 0.611716 0.266367 Cl\n0.874550 0.319796 0.686953 Cl\n0.948565 0.959811 0.295254 Cl\n0.540440 0.115093 0.226992 Cl\n0.856075 0.660808 0.857439 Cl\n0.201304 0.543402 0.205187 Cl\n0.726218 0.262507 0.021489 Cl\n",
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"elements": [
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],
"chemical_system": "Cl-Rh-S",
"density": 2.756345752802644,
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"volume": 2257.246189969583,
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"formula_full": "Rh12 S12 Cl60",
"formula_reduced": "RhSCl5",
"formula_anonymous": "ABC5",
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"updated_at": "2021-11-28T01:38:19.793000Z",
"spacegroup": 9
},
{
"id": "mp-647575",
"created_at": "2022-09-04T14:47:40.937455Z",
"structure_string": "K24 Zn12 Cl48\n1.0\n7.364715 0.000000 0.000000\n0.000000 12.559186 0.000000\n0.000000 0.000000 27.092535\nK Zn Cl\n24 12 48\ndirect\n0.277944 0.186782 0.831795 K\n0.213354 0.918816 0.043051 K\n0.777944 0.686782 0.668205 K\n0.278042 0.583188 0.210258 K\n0.261788 0.314190 0.665847 K\n0.735645 0.414603 0.120280 K\n0.277944 0.313218 0.331795 K\n0.777944 0.813218 0.168205 K\n0.235645 0.585397 0.879720 K\n0.706454 0.686923 0.001611 K\n0.706454 0.813077 0.501611 K\n0.206454 0.313077 0.998389 K\n0.206454 0.186923 0.498389 K\n0.261788 0.185810 0.165847 K\n0.735645 0.085397 0.620280 K\n0.713354 0.081184 0.956949 K\n0.761788 0.814190 0.834153 K\n0.761788 0.685810 0.334153 K\n0.213354 0.581184 0.543051 K\n0.778042 0.416812 0.789742 K\n0.713354 0.418816 0.456949 K\n0.235645 0.914603 0.379720 K\n0.278042 0.916812 0.710258 K\n0.778042 0.083188 0.289742 K\n0.763525 0.417967 0.259640 Zn\n0.250118 0.919267 0.572107 Zn\n0.250118 0.580733 0.072107 Zn\n0.220455 0.917684 0.904880 Zn\n0.720455 0.417684 0.595120 Zn\n0.763525 0.082033 0.759640 Zn\n0.263525 0.582033 0.740360 Zn\n0.750118 0.419267 0.927893 Zn\n0.750118 0.080733 0.427893 Zn\n0.220455 0.582316 0.404880 Zn\n0.720455 0.082316 0.095120 Zn\n0.263525 0.917967 0.240360 Zn\n0.686813 0.063373 0.177096 Cl\n0.326297 0.556408 0.992042 Cl\n0.498142 0.137587 0.721975 Cl\n0.184889 0.421311 0.444346 Cl\n0.508815 0.643020 0.111167 Cl\n0.990813 0.349059 0.569708 Cl\n0.183242 0.424802 0.112443 Cl\n0.498142 0.362413 0.221975 Cl\n0.008815 0.356980 0.888833 Cl\n0.683242 0.924802 0.387557 Cl\n0.998142 0.637587 0.778025 Cl\n0.834583 0.925418 0.720641 Cl\n0.001070 0.693836 0.435141 Cl\n0.481384 0.793734 0.255711 Cl\n0.522283 0.300475 0.915968 Cl\n0.195544 0.564119 0.659428 Cl\n0.683242 0.575198 0.887557 Cl\n0.826297 0.443592 0.007958 Cl\n0.184889 0.078689 0.944346 Cl\n0.522283 0.199525 0.415968 Cl\n0.008815 0.143020 0.388833 Cl\n0.695544 0.435881 0.340572 Cl\n0.490813 0.849059 0.930292 Cl\n0.186813 0.936627 0.822904 Cl\n0.001070 0.806164 0.935141 Cl\n0.334583 0.425418 0.779359 Cl\n0.686813 0.436627 0.677096 Cl\n0.684889 0.921311 0.055654 Cl\n0.501070 0.306164 0.564859 Cl\n0.481384 0.706266 0.755711 Cl\n0.684889 0.578689 0.555654 Cl\n0.981384 0.206266 0.744289 Cl\n0.195544 0.935881 0.159428 Cl\n0.834583 0.574582 0.220641 Cl\n0.981384 0.293734 0.244289 Cl\n0.990813 0.150941 0.069708 Cl\n0.022283 0.800475 0.584032 Cl\n0.998142 0.862413 0.278025 Cl\n0.508815 0.856980 0.611167 Cl\n0.826297 0.056408 0.507958 Cl\n0.334583 0.074582 0.279359 Cl\n0.183242 0.075198 0.612443 Cl\n0.695544 0.064119 0.840572 Cl\n0.186813 0.563373 0.322904 Cl\n0.022283 0.699525 0.084032 Cl\n0.326297 0.943592 0.492042 Cl\n0.490813 0.650941 0.430292 Cl\n0.501070 0.193836 0.064859 Cl\n",
"nsites": 84,
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"elements": [
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"Zn",
"Cl"
],
"chemical_system": "Cl-K-Zn",
"density": 2.2695722508685567,
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"formula_full": "K24 Zn12 Cl48",
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"spacegroup": 33
},
{
"id": "mp-28057",
"created_at": "2022-09-04T14:47:45.405750Z",
"structure_string": "Ba12 Bi24 S48\n1.0\n12.894806 -22.334460 0.000000\n12.894806 22.334460 0.000000\n0.000000 0.000000 4.164782\nBa Bi S\n12 24 48\ndirect\n0.772135 0.651436 0.750000 Ba\n0.120699 0.772135 0.250000 Ba\n0.651436 0.879301 0.250000 Ba\n0.348564 0.120699 0.750000 Ba\n0.879301 0.227865 0.750000 Ba\n0.227865 0.348564 0.250000 Ba\n0.678512 0.445593 0.750000 Ba\n0.232919 0.678512 0.250000 Ba\n0.445593 0.767081 0.250000 Ba\n0.554407 0.232919 0.750000 Ba\n0.767081 0.321488 0.750000 Ba\n0.321488 0.554407 0.250000 Ba\n0.152972 0.977358 0.750000 Bi\n0.175614 0.152972 0.250000 Bi\n0.977358 0.824386 0.250000 Bi\n0.022642 0.175614 0.750000 Bi\n0.824386 0.847028 0.750000 Bi\n0.847028 0.022642 0.250000 Bi\n0.541208 0.949969 0.750000 Bi\n0.591239 0.541208 0.250000 Bi\n0.949969 0.408761 0.250000 Bi\n0.050031 0.591239 0.750000 Bi\n0.408761 0.458792 0.750000 Bi\n0.458792 0.050031 0.250000 Bi\n0.352675 0.855977 0.750000 Bi\n0.496699 0.352675 0.250000 Bi\n0.855977 0.503301 0.250000 Bi\n0.144023 0.496699 0.750000 Bi\n0.503301 0.647325 0.750000 Bi\n0.647325 0.144023 0.250000 Bi\n0.726765 0.057896 0.750000 Bi\n0.668869 0.726765 0.250000 Bi\n0.057896 0.331131 0.250000 Bi\n0.942104 0.668869 0.750000 Bi\n0.331131 0.273235 0.750000 Bi\n0.273235 0.942104 0.250000 Bi\n0.936501 0.861482 0.750000 S\n0.075020 0.936501 0.250000 S\n0.861482 0.924980 0.250000 S\n0.138518 0.075020 0.750000 S\n0.924980 0.063499 0.750000 S\n0.063499 0.138518 0.250000 S\n0.693759 0.807737 0.750000 S\n0.886022 0.693759 0.250000 S\n0.807737 0.113978 0.250000 S\n0.192263 0.886022 0.750000 S\n0.113978 0.306241 0.750000 S\n0.306241 0.192263 0.250000 S\n0.343689 0.752131 0.750000 S\n0.591558 0.343689 0.250000 S\n0.752131 0.408442 0.250000 S\n0.247869 0.591558 0.750000 S\n0.408442 0.656311 0.750000 S\n0.656311 0.247869 0.250000 S\n0.367341 0.997749 0.750000 S\n0.369592 0.367341 0.250000 S\n0.547247 0.852854 0.750000 S\n0.997749 0.630408 0.250000 S\n0.630408 0.632659 0.750000 S\n0.632659 0.002251 0.250000 S\n0.749796 0.968510 0.750000 S\n0.781287 0.749796 0.250000 S\n0.968510 0.218713 0.250000 S\n0.031490 0.781287 0.750000 S\n0.218713 0.250204 0.750000 S\n0.250204 0.031490 0.250000 S\n0.910037 0.455062 0.750000 S\n0.454976 0.910037 0.250000 S\n0.455062 0.545024 0.250000 S\n0.544938 0.454976 0.750000 S\n0.545024 0.089963 0.750000 S\n0.089963 0.544938 0.250000 S\n0.174672 0.448741 0.250000 S\n0.725931 0.174672 0.750000 S\n0.448741 0.274069 0.750000 S\n0.551259 0.725931 0.250000 S\n0.274069 0.825328 0.250000 S\n0.825328 0.551259 0.750000 S\n0.452753 0.147146 0.250000 S\n0.305608 0.452753 0.750000 S\n0.147146 0.694392 0.750000 S\n0.852854 0.305608 0.250000 S\n0.694392 0.547247 0.250000 S\n0.002251 0.369592 0.750000 S\n",
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{
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"structure_string": "La4 B20 N4 O56\n1.0\n15.183604 0.000000 0.000000\n0.000000 6.590204 0.000000\n0.000000 6.459019 11.190164\nLa B N O\n4 20 4 56\ndirect\n0.796131 0.451085 0.881428 La\n0.703869 0.451085 0.381428 La\n0.203869 0.548915 0.118572 La\n0.296131 0.548915 0.618572 La\n0.534168 0.601845 0.602998 B\n0.965832 0.601845 0.102998 B\n0.465832 0.398155 0.397002 B\n0.034168 0.398155 0.897002 B\n0.669735 0.365074 0.639389 B\n0.830265 0.365074 0.139389 B\n0.330265 0.634926 0.360611 B\n0.169735 0.634926 0.860611 B\n0.676345 0.795909 0.534867 B\n0.823655 0.795909 0.034867 B\n0.323655 0.204091 0.465133 B\n0.176345 0.204091 0.965133 B\n0.708755 0.959235 0.673125 B\n0.791245 0.959235 0.173125 B\n0.291245 0.040765 0.326875 B\n0.208755 0.040765 0.826875 B\n0.752443 0.059280 0.823066 B\n0.747557 0.059280 0.323066 B\n0.247557 0.940720 0.176934 B\n0.252443 0.940720 0.676934 B\n0.576994 0.365662 0.951163 N\n0.923006 0.365662 0.451163 N\n0.423006 0.634338 0.048837 N\n0.076994 0.634338 0.548837 N\n0.444156 0.603841 0.597995 O\n0.055844 0.603841 0.097995 O\n0.555844 0.396159 0.402005 O\n0.944156 0.396159 0.902005 O\n0.579287 0.391897 0.666984 O\n0.920713 0.391897 0.166984 O\n0.420713 0.608103 0.333016 O\n0.079287 0.608103 0.833016 O\n0.580820 0.808495 0.544314 O\n0.919180 0.808495 0.044314 O\n0.419180 0.191505 0.455686 O\n0.080820 0.191505 0.955686 O\n0.703158 0.580725 0.535405 O\n0.796842 0.580725 0.035405 O\n0.296842 0.419275 0.464595 O\n0.203158 0.419275 0.964595 O\n0.725848 0.286714 0.750126 O\n0.774152 0.286714 0.250126 O\n0.274152 0.713286 0.249874 O\n0.225848 0.713286 0.749874 O\n0.715855 0.790883 0.642940 O\n0.784145 0.790883 0.142940 O\n0.284145 0.209117 0.357060 O\n0.215855 0.209117 0.857060 O\n0.677758 0.181307 0.602976 O\n0.822242 0.181307 0.102976 O\n0.322242 0.818693 0.397024 O\n0.177758 0.818693 0.897024 O\n0.742246 0.890768 0.788755 O\n0.757754 0.890768 0.288755 O\n0.257754 0.109232 0.211245 O\n0.242246 0.109232 0.711245 O\n0.792197 0.013425 0.926938 O\n0.707803 0.013425 0.426938 O\n0.207803 0.986575 0.073062 O\n0.292197 0.986575 0.573062 O\n0.652783 0.275079 0.993560 O\n0.847217 0.275079 0.493560 O\n0.347217 0.724921 0.006440 O\n0.152783 0.724921 0.506440 O\n0.573155 0.558534 0.856620 O\n0.926845 0.558534 0.356620 O\n0.426845 0.441466 0.143380 O\n0.073155 0.441466 0.643380 O\n0.510124 0.257234 0.006635 O\n0.989876 0.257234 0.506635 O\n0.489876 0.742766 0.993365 O\n0.010124 0.742766 0.493365 O\n0.918723 0.819395 0.703722 O\n0.581277 0.819395 0.203722 O\n0.081277 0.180605 0.296278 O\n0.418723 0.180605 0.796278 O\n0.906310 0.682359 0.665707 O\n0.593690 0.682359 0.165707 O\n0.093690 0.317641 0.334293 O\n0.406310 0.317641 0.834293 O\n",
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{
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}