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{
"id": "mp-1228785",
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{
"id": "mp-1200575",
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{
"id": "mp-1219453",
"created_at": "2022-09-04T14:47:00.890215Z",
"structure_string": "Sr12 Ti4 Si16 O61\n1.0\n7.703031 7.806406 0.000000\n-7.703031 7.806406 0.000000\n0.000000 5.184477 10.973079\nSr Ti Si O\n12 4 16 61\ndirect\n0.248003 0.248003 0.893404 Sr\n0.746669 0.746669 0.897797 Sr\n0.252411 0.749239 0.106241 Sr\n0.749239 0.252411 0.106241 Sr\n0.227531 0.227531 0.589702 Sr\n0.728965 0.728965 0.589964 Sr\n0.266313 0.770836 0.414218 Sr\n0.770836 0.266313 0.414218 Sr\n0.053853 0.555836 0.739814 Sr\n0.555836 0.053853 0.739814 Sr\n0.442600 0.442600 0.260131 Sr\n0.946923 0.946923 0.254909 Sr\n0.249636 0.499402 0.998680 Ti\n0.748395 0.998777 0.001908 Ti\n0.499402 0.249636 0.998680 Ti\n0.998777 0.748395 0.001908 Ti\n0.564354 0.359456 0.696753 Si\n0.062467 0.859501 0.701649 Si\n0.138744 0.432942 0.299826 Si\n0.638121 0.938399 0.301755 Si\n0.938399 0.638121 0.301755 Si\n0.432942 0.138744 0.299826 Si\n0.359456 0.564354 0.696753 Si\n0.859501 0.062467 0.701649 Si\n0.744247 0.457672 0.800463 Si\n0.245780 0.955534 0.803006 Si\n0.541383 0.752894 0.203510 Si\n0.041219 0.254019 0.196061 Si\n0.752894 0.541383 0.203510 Si\n0.254019 0.041219 0.196061 Si\n0.955534 0.245780 0.803006 Si\n0.457672 0.744247 0.800463 Si\n0.370258 0.370258 0.982846 O\n0.871758 0.871758 0.985402 O\n0.127518 0.627487 0.016981 O\n0.627487 0.127518 0.016981 O\n0.433850 0.433850 0.690152 O\n0.932009 0.932009 0.692639 O\n0.067694 0.564715 0.308994 O\n0.564715 0.067694 0.308994 O\n0.643702 0.391478 0.938375 O\n0.145929 0.889294 0.940997 O\n0.607414 0.853204 0.065604 O\n0.106600 0.355119 0.057930 O\n0.853204 0.607414 0.065604 O\n0.355119 0.106600 0.057930 O\n0.889294 0.145929 0.940997 O\n0.391478 0.643702 0.938375 O\n0.937220 0.433915 0.978822 O\n0.433915 0.937220 0.978822 O\n0.562289 0.562289 0.023320 O\n0.063870 0.063870 0.019833 O\n0.110494 0.797856 0.593327 O\n0.606601 0.295301 0.590333 O\n0.200767 0.391256 0.408521 O\n0.703070 0.892473 0.409603 O\n0.391256 0.200767 0.408521 O\n0.892473 0.703070 0.409603 O\n0.295301 0.606601 0.590333 O\n0.797856 0.110494 0.593327 O\n0.863484 0.365218 0.779998 O\n0.365218 0.863484 0.779998 O\n0.633287 0.633287 0.224477 O\n0.135308 0.135308 0.211798 O\n0.413979 0.413979 0.503440 O\n0.913367 0.913367 0.501076 O\n0.040602 0.641480 0.507905 O\n0.641480 0.040602 0.507905 O\n0.310812 0.097956 0.770438 O\n0.807013 0.600178 0.770969 O\n0.398522 0.689233 0.234773 O\n0.899000 0.188258 0.228917 O\n0.188258 0.899000 0.228917 O\n0.689233 0.398522 0.234773 O\n0.097956 0.310812 0.770438 O\n0.600178 0.807013 0.770969 O\n0.171648 0.963577 0.699953 O\n0.673310 0.465582 0.694642 O\n0.534572 0.825508 0.307937 O\n0.029717 0.329745 0.298731 O\n0.329745 0.029717 0.298731 O\n0.825508 0.534572 0.307937 O\n0.963577 0.171648 0.699953 O\n0.465582 0.673310 0.694642 O\n0.019371 0.745516 0.833734 O\n0.523449 0.247422 0.830203 O\n0.252570 0.475439 0.167581 O\n0.752241 0.977271 0.170464 O\n0.475439 0.252570 0.167581 O\n0.977271 0.752241 0.170464 O\n0.247422 0.523449 0.830203 O\n0.745516 0.019371 0.833734 O\n0.181105 0.181105 0.418877 O\n",
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{
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{
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{
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"structure_string": "Sn8 H52 Br24 O30\n1.0\n10.261951 0.000000 0.000000\n-3.869568 13.927212 0.000000\n-5.038040 -4.984309 13.048936\nSn H Br O\n8 52 24 30\ndirect\n0.682106 0.816831 0.422176 Sn\n0.317894 0.183169 0.577824 Sn\n0.812162 0.680955 0.568123 Sn\n0.187838 0.319045 0.431877 Sn\n0.426167 0.060507 0.071983 Sn\n0.573833 0.939493 0.928017 Sn\n0.917328 0.559134 0.065819 Sn\n0.082672 0.440866 0.934181 Sn\n0.622067 0.689286 0.221879 H\n0.377933 0.310714 0.778121 H\n0.675978 0.631911 0.305795 H\n0.324022 0.368089 0.694205 H\n0.963328 0.800570 0.486958 H\n0.036672 0.199430 0.513042 H\n0.532444 0.696774 0.504808 H\n0.467556 0.303226 0.495192 H\n0.872912 0.812634 0.767325 H\n0.127088 0.187366 0.232675 H\n0.830887 0.871463 0.685224 H\n0.169113 0.128537 0.314776 H\n0.610725 0.076006 0.272503 H\n0.389275 0.923994 0.727497 H\n0.656425 0.010756 0.189520 H\n0.343575 0.989244 0.810480 H\n0.669018 0.149158 0.028065 H\n0.330982 0.850842 0.971935 H\n0.100001 0.574291 0.268750 H\n0.899999 0.425709 0.731250 H\n0.183176 0.552052 0.193582 H\n0.816824 0.447948 0.806418 H\n0.121088 0.645356 0.993946 H\n0.878912 0.354644 0.006054 H\n0.083581 0.769609 0.921618 H\n0.916419 0.230391 0.078382 H\n0.150373 0.705176 0.864624 H\n0.849627 0.294824 0.135376 H\n0.470456 0.936545 0.610742 H\n0.529544 0.063455 0.389258 H\n0.294870 0.871973 0.558553 H\n0.705130 0.128027 0.441447 H\n0.094808 0.739051 0.415507 H\n0.905192 0.260949 0.584493 H\n0.096866 0.846850 0.406487 H\n0.903134 0.153150 0.593513 H\n0.828200 0.740788 0.879438 H\n0.171800 0.259212 0.120562 H\n0.922423 0.858723 0.937324 H\n0.077577 0.141277 0.062676 H\n0.207412 0.630008 0.438117 H\n0.792588 0.369992 0.561883 H\n0.031453 0.563711 0.389351 H\n0.968547 0.436289 0.610649 H\n0.597304 0.243275 0.419451 H\n0.402696 0.756725 0.580549 H\n0.603553 0.353537 0.415342 H\n0.396447 0.646463 0.584658 H\n0.520989 0.641406 0.052771 H\n0.479011 0.358594 0.947229 H\n0.654279 0.749612 0.104527 H\n0.345721 0.250388 0.895473 H\n0.736073 0.965489 0.589808 Br\n0.263927 0.034511 0.410192 Br\n0.416212 0.805879 0.326898 Br\n0.583788 0.194121 0.673102 Br\n0.824401 0.933936 0.353843 Br\n0.175599 0.066064 0.646157 Br\n0.077195 0.687208 0.662992 Br\n0.922805 0.312792 0.337008 Br\n0.758410 0.530704 0.403210 Br\n0.241590 0.469296 0.596790 Br\n0.675427 0.571227 0.644272 Br\n0.324573 0.428773 0.355728 Br\n0.504487 0.250553 0.175528 Br\n0.495513 0.749447 0.824472 Br\n0.218108 0.062428 0.911426 Br\n0.781892 0.937572 0.088574 Br\n0.239481 0.979753 0.137628 Br\n0.760519 0.020247 0.862372 Br\n0.715248 0.558601 0.901941 Br\n0.284752 0.441399 0.098059 Br\n0.994048 0.748218 0.169143 Br\n0.005952 0.251782 0.830857 Br\n0.727803 0.474921 0.128182 Br\n0.272197 0.525079 0.871818 Br\n0.636128 0.684733 0.292382 O\n0.363872 0.315267 0.707618 O\n0.877226 0.792884 0.506653 O\n0.122774 0.207116 0.493347 O\n0.617865 0.704441 0.484742 O\n0.382135 0.295559 0.515258 O\n0.869328 0.818251 0.700477 O\n0.130672 0.181749 0.299523 O\n0.612523 0.062375 0.202729 O\n0.387477 0.937625 0.797271 O\n0.579497 0.084769 0.005110 O\n0.420503 0.915231 0.994890 O\n0.085833 0.543890 0.195459 O\n0.914167 0.456110 0.804541 O\n0.093531 0.587178 0.017856 O\n0.906469 0.412822 0.982144 O\n0.166861 0.744595 0.933615 O\n0.833139 0.255405 0.066385 O\n0.391491 0.885552 0.616133 O\n0.608509 0.114448 0.383867 O\n0.105753 0.809261 0.453826 O\n0.894247 0.190739 0.546174 O\n0.909745 0.798241 0.883566 O\n0.090255 0.201759 0.116434 O\n0.108103 0.614717 0.381782 O\n0.891897 0.385283 0.618218 O\n0.610236 0.313055 0.460155 O\n0.389764 0.686945 0.539845 O\n0.580841 0.701075 0.116372 O\n0.419159 0.298925 0.883628 O\n",
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"elements": [
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],
"chemical_system": "Br-H-O-Sn",
"density": 3.0271192024372953,
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"volume_molar": 9.851792933898869,
"formula_full": "Sn8 H52 Br24 O30",
"formula_reduced": "Sn4H26(Br4O5)3",
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"updated_at": "2021-11-28T01:35:49.751000Z",
"spacegroup": 2
},
{
"id": "mp-1215396",
"created_at": "2022-09-04T14:45:30.710144Z",
"structure_string": "Zr4 B15 Ir12\n1.0\n3.548591 0.000000 0.000000\n-0.005220 7.593939 0.000000\n-0.019131 -0.007228 13.147076\nZr B Ir\n4 15 12\ndirect\n0.249999 0.498986 0.831397 Zr\n0.249081 0.000792 0.335094 Zr\n0.750919 0.999208 0.664906 Zr\n0.750001 0.501014 0.168603 Zr\n0.500000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.761049 0.327120 0.722459 B\n0.753487 0.826178 0.225136 B\n0.751240 0.750873 0.799796 B\n0.759377 0.251295 0.303043 B\n0.750165 0.423885 0.974579 B\n0.764489 0.920857 0.475292 B\n0.246513 0.173822 0.774864 B\n0.238951 0.672880 0.277541 B\n0.240623 0.748705 0.696957 B\n0.248760 0.249127 0.200204 B\n0.235511 0.079143 0.524708 B\n0.249835 0.576115 0.025421 B\n0.740265 0.591983 0.663542 Ir\n0.750849 0.091485 0.163876 Ir\n0.750584 0.707444 0.963017 Ir\n0.735553 0.209948 0.465010 Ir\n0.748500 0.199869 0.872417 Ir\n0.739930 0.699001 0.372116 Ir\n0.249151 0.908515 0.836124 Ir\n0.259735 0.408017 0.336458 Ir\n0.264447 0.790052 0.534990 Ir\n0.249416 0.292556 0.036983 Ir\n0.260070 0.300999 0.627884 Ir\n0.251500 0.800131 0.127583 Ir\n",
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"elements": [
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"volume": 354.28455888861237,
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"formula_full": "Zr4 B15 Ir12",
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"updated_at": "2021-11-28T01:37:02.100000Z",
"spacegroup": 2
},
{
"id": "mp-1214214",
"created_at": "2022-09-04T14:41:18.825509Z",
"structure_string": "Ca14 Al12 Zn4 O35\n1.0\n0.000000 7.509051 7.509051\n7.509051 0.000000 7.509051\n7.509051 7.509051 0.000000\nCa Al Zn O\n14 12 4 35\ndirect\n0.468808 0.031192 0.031192 Ca\n0.031192 0.468808 0.468808 Ca\n0.031192 0.468808 0.031192 Ca\n0.468808 0.031192 0.468808 Ca\n0.031192 0.031192 0.468808 Ca\n0.468808 0.468808 0.031192 Ca\n0.863683 0.863683 0.863683 Ca\n0.863683 0.863683 0.408950 Ca\n0.863683 0.408950 0.863683 Ca\n0.408950 0.863683 0.863683 Ca\n0.636506 0.636506 0.636506 Ca\n0.636506 0.636506 0.090482 Ca\n0.636506 0.090482 0.636506 Ca\n0.090482 0.636506 0.636506 Ca\n0.750000 0.750000 0.750000 Al\n0.387828 0.387828 0.387828 Al\n0.387828 0.387828 0.836516 Al\n0.387828 0.836516 0.387828 Al\n0.836516 0.387828 0.387828 Al\n0.744061 0.255939 0.255939 Al\n0.255939 0.744061 0.744061 Al\n0.255939 0.744061 0.255939 Al\n0.744061 0.255939 0.744061 Al\n0.255939 0.255939 0.744061 Al\n0.744061 0.744061 0.255939 Al\n0.250000 0.250000 0.250000 Al\n0.077716 0.077716 0.077716 Zn\n0.077716 0.077716 0.766851 Zn\n0.077716 0.766851 0.077716 Zn\n0.766851 0.077716 0.077716 Zn\n0.879633 0.620367 0.620367 O\n0.620367 0.879633 0.879633 O\n0.620367 0.879633 0.620367 O\n0.879633 0.620367 0.879633 O\n0.620367 0.620367 0.879633 O\n0.879633 0.879633 0.620367 O\n0.318334 0.318334 0.318334 O\n0.318334 0.318334 0.044997 O\n0.318334 0.044997 0.318334 O\n0.044997 0.318334 0.318334 O\n0.293655 0.908977 0.095263 O\n0.908977 0.293655 0.702104 O\n0.095263 0.702104 0.293655 O\n0.095263 0.293655 0.908977 O\n0.702104 0.095263 0.908977 O\n0.702104 0.908977 0.293655 O\n0.293655 0.095263 0.702104 O\n0.908977 0.702104 0.095263 O\n0.908977 0.095263 0.293655 O\n0.702104 0.293655 0.095263 O\n0.095263 0.908977 0.702104 O\n0.293655 0.702104 0.908977 O\n0.414319 0.239094 0.782355 O\n0.239094 0.414319 0.564231 O\n0.782355 0.564231 0.414319 O\n0.782355 0.414319 0.239094 O\n0.564231 0.782355 0.239094 O\n0.564231 0.239094 0.414319 O\n0.414319 0.782355 0.564231 O\n0.239094 0.564231 0.782355 O\n0.239094 0.782355 0.414319 O\n0.564231 0.414319 0.782355 O\n0.782355 0.239094 0.564231 O\n0.414319 0.564231 0.239094 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Ca14 Al12 Zn4 O35",
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"spacegroup": 196
},
{
"id": "mp-504753",
"created_at": "2022-09-04T14:46:02.818821Z",
"structure_string": "Cu12 As4 S13\n1.0\n-5.105915 5.105915 5.105915\n5.105915 -5.105915 5.105915\n5.105915 5.105915 -5.105915\nCu As S\n12 4 13\ndirect\n0.250000 0.500000 0.750000 Cu\n0.500000 0.750000 0.250000 Cu\n0.500000 0.250000 0.750000 Cu\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.500000 0.250000 Cu\n0.221153 0.000000 0.221153 Cu\n0.000000 0.778847 0.778847 Cu\n0.000000 0.221153 0.221153 Cu\n0.778847 0.778847 0.000000 Cu\n0.221153 0.221153 0.000000 Cu\n0.778847 0.000000 0.778847 Cu\n0.000000 0.000000 0.527508 As\n0.527508 0.000000 0.000000 As\n0.000000 0.527508 0.000000 As\n0.472492 0.472492 0.472492 As\n0.759215 0.759215 0.239210 S\n0.479995 0.240785 0.000000 S\n0.240785 0.479995 0.000000 S\n0.520005 0.760790 0.520005 S\n0.479995 0.000000 0.240785 S\n0.000000 0.479995 0.240785 S\n0.760790 0.520005 0.520005 S\n0.239210 0.759215 0.759215 S\n0.759215 0.239210 0.759215 S\n0.240785 0.000000 0.479995 S\n0.000000 0.240785 0.479995 S\n0.520005 0.520005 0.760790 S\n0.000000 0.000000 0.000000 S\n",
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],
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"formula_full": "Cu12 As4 S13",
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"updated_at": "2021-11-28T01:37:15.209000Z",
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}
]
}