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"structure_string": "C16 Se8 N16\n1.0\n6.710461 0.000000 0.000000\n0.000000 8.437974 0.000000\n0.000000 0.000000 12.600302\nC Se N\n16 8 16\ndirect\n0.725920 0.686751 0.636368 C\n0.842374 0.485409 0.624059 C\n0.157626 0.514590 0.375941 C\n0.842374 0.985409 0.875941 C\n0.657626 0.985409 0.375941 C\n0.157626 0.014590 0.124059 C\n0.657626 0.485409 0.124059 C\n0.342374 0.514590 0.875941 C\n0.274080 0.813248 0.136368 C\n0.774080 0.686751 0.136368 C\n0.588199 0.893753 0.888662 C\n0.225920 0.813248 0.636368 C\n0.342374 0.014590 0.624059 C\n0.911800 0.893753 0.388662 C\n0.774080 0.186751 0.363632 C\n0.411801 0.106247 0.111338 C\n0.225920 0.313249 0.863632 Se\n0.725920 0.186751 0.863632 Se\n0.274080 0.313249 0.363632 Se\n0.911800 0.393753 0.111338 Se\n0.088199 0.606246 0.888662 Se\n0.411801 0.606246 0.388662 Se\n0.088199 0.106247 0.611338 Se\n0.588199 0.393753 0.611338 Se\n0.344403 0.687483 0.143354 N\n0.564337 0.671313 0.396180 N\n0.655597 0.312517 0.856646 N\n0.435663 0.828686 0.896180 N\n0.064337 0.328686 0.103820 N\n0.655597 0.812516 0.643354 N\n0.844403 0.312517 0.356646 N\n0.155597 0.687483 0.643354 N\n0.064337 0.828686 0.396180 N\n0.935663 0.171314 0.603820 N\n0.844403 0.812516 0.143354 N\n0.344403 0.187483 0.356646 N\n0.155597 0.187483 0.856646 N\n0.435663 0.328686 0.603820 N\n0.564337 0.171314 0.103820 N\n0.935663 0.671313 0.896180 N\n",
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{
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"structure_string": "Ba4 Ho8 S16\n1.0\n4.024385 -0.000000 0.000000\n0.000000 12.242950 0.000000\n-0.000000 -0.000000 14.478717\nBa Ho S\n4 8 16\ndirect\n0.250000 0.757826 0.337702 Ba\n0.250000 0.257826 0.162298 Ba\n0.750001 0.242174 0.662298 Ba\n0.750001 0.742174 0.837702 Ba\n0.750001 0.078560 0.398545 Ho\n0.750001 0.578560 0.101455 Ho\n0.250000 0.421440 0.898545 Ho\n0.250000 0.921440 0.601455 Ho\n0.750001 0.567256 0.608256 Ho\n0.250000 0.932744 0.108256 Ho\n0.250000 0.432744 0.391744 Ho\n0.750001 0.067256 0.891744 Ho\n0.250000 0.022396 0.282854 S\n0.250000 0.918502 0.922931 S\n0.250000 0.418502 0.577070 S\n0.750001 0.477604 0.782854 S\n0.750001 0.977604 0.717147 S\n0.250000 0.522396 0.217146 S\n0.750001 0.375657 0.023142 S\n0.250000 0.707454 0.661923 S\n0.250000 0.624343 0.976858 S\n0.250000 0.124343 0.523142 S\n0.750001 0.292546 0.338077 S\n0.750001 0.792546 0.161923 S\n0.750001 0.581498 0.422930 S\n0.250000 0.207454 0.838077 S\n0.750001 0.875657 0.476858 S\n0.750001 0.081498 0.077070 S\n",
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"structure_string": "Na12 Ga4 Se12\n1.0\n7.224569 0.000000 0.000000\n0.000000 7.478247 -0.096382\n0.000000 -0.033924 13.203503\nNa Ga Se\n12 4 12\ndirect\n0.470548 0.725617 0.785130 Na\n0.970548 0.774385 0.714870 Na\n0.529452 0.274384 0.214870 Na\n0.029452 0.225616 0.285130 Na\n0.499690 0.331557 0.607059 Na\n0.999690 0.168444 0.892940 Na\n0.500310 0.668444 0.392941 Na\n0.000310 0.831557 0.107060 Na\n0.499526 0.216192 0.899127 Na\n0.999526 0.283809 0.600872 Na\n0.500474 0.783809 0.100873 Na\n0.000474 0.716192 0.399127 Na\n0.642978 0.086250 0.416015 Ga\n0.142978 0.413750 0.083985 Ga\n0.357022 0.913751 0.583985 Ga\n0.857022 0.586251 0.916015 Ga\n0.703105 0.921940 0.572214 Se\n0.203105 0.578061 0.927786 Se\n0.296895 0.078061 0.427786 Se\n0.796895 0.421940 0.072214 Se\n0.255300 0.074674 0.731426 Se\n0.755300 0.425327 0.768574 Se\n0.744700 0.925327 0.268574 Se\n0.244700 0.574674 0.231426 Se\n0.740560 0.884254 0.926685 Se\n0.240560 0.615748 0.573315 Se\n0.259440 0.115747 0.073315 Se\n0.759440 0.384253 0.426685 Se\n",
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"elements": [
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"formula_full": "Y5 Mg24",
"formula_reduced": "Y5Mg24",
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{
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{
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"updated_at": "2022-09-04T14:38:45.251664Z",
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}