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{
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"structure_string": "Cr16 Xe16 F160\n1.0\n0.000000 -8.669619 -0.000000\n-19.052613 0.000000 0.000000\n0.000000 0.000000 -18.998539\nCr Xe F\n16 16 160\ndirect\n0.050205 0.165093 0.167168 Cr\n0.449795 0.665093 0.832832 Cr\n0.550205 0.834907 0.332832 Cr\n0.949795 0.334907 0.667168 Cr\n0.949795 0.834907 0.832832 Cr\n0.550205 0.334907 0.167168 Cr\n0.449795 0.165093 0.667168 Cr\n0.050205 0.665093 0.332832 Cr\n0.177974 0.328274 0.069900 Cr\n0.322026 0.828274 0.930100 Cr\n0.677974 0.671726 0.430100 Cr\n0.822026 0.171726 0.569900 Cr\n0.822026 0.671726 0.930100 Cr\n0.677974 0.171726 0.069900 Cr\n0.322026 0.328274 0.569900 Cr\n0.177974 0.828274 0.430100 Cr\n0.731945 0.100431 0.274015 Xe\n0.768055 0.600431 0.725985 Xe\n0.231945 0.899569 0.225985 Xe\n0.268055 0.399569 0.774015 Xe\n0.268055 0.899569 0.725985 Xe\n0.231945 0.399569 0.274015 Xe\n0.768055 0.100431 0.774015 Xe\n0.731945 0.600431 0.225985 Xe\n0.749388 0.376694 0.967427 Xe\n0.750612 0.876694 0.032573 Xe\n0.249388 0.623306 0.532573 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"nelements": 3,
"elements": [
"Cr",
"Xe",
"F"
],
"chemical_system": "Cr-F-Xe",
"density": 3.160247147170878,
"density_atomic": 0.06118239390418808,
"volume": 3138.157691257928,
"volume_molar": 9.842930908245764,
"formula_full": "Cr16 Xe16 F160",
"formula_reduced": "CrXeF10",
"formula_anonymous": "ABC10",
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"updated_at": "2021-11-28T01:34:31.385000Z",
"spacegroup": 61
},
{
"id": "mp-707571",
"created_at": "2022-09-04T14:41:56.859587Z",
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"elements": [
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"density": 1.9697846825947953,
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"volume": 1700.4210606908061,
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"formula_full": "Na24 Si8 H88 O72",
"formula_reduced": "Na3SiH11O9",
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},
{
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},
{
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Se\n0.759709 0.557412 0.584428 Se\n0.759709 0.442588 0.915572 Se\n0.740291 0.942588 0.584428 Se\n0.740291 0.057412 0.915572 Se\n0.432900 0.500000 0.250000 Se\n0.067100 0.000000 0.250000 Se\n0.567100 0.500000 0.750000 Se\n0.932900 0.000000 0.750000 Se\n0.818904 0.573345 0.076734 N\n0.818904 0.426655 0.423266 N\n0.681096 0.926655 0.076734 N\n0.681096 0.073345 0.423266 N\n0.181096 0.426655 0.923266 N\n0.181096 0.573345 0.576734 N\n0.318904 0.073345 0.923266 N\n0.318904 0.926655 0.576734 N\n0.918486 0.804948 0.001665 N\n0.918486 0.195052 0.498335 N\n0.581514 0.695052 0.001665 N\n0.581514 0.304948 0.498335 N\n0.081514 0.195052 0.998335 N\n0.081514 0.804948 0.501665 N\n0.418486 0.304948 0.998335 N\n0.418486 0.695052 0.501665 N\n0.555928 0.743289 0.154441 N\n0.555928 0.256711 0.345559 N\n0.944072 0.756711 0.154441 N\n0.944072 0.243289 0.345559 N\n0.444072 0.256711 0.845559 N\n0.444072 0.743289 0.654441 N\n0.055928 0.243289 0.845559 N\n0.055928 0.756711 0.654441 N\n",
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"elements": [
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"C",
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],
"chemical_system": "C-H-Mn-N-Se",
"density": 1.8160600412037715,
"density_atomic": 0.08252968012019261,
"volume": 2326.435770990262,
"volume_molar": 7.296939417709626,
"formula_full": "Mn4 H120 C24 Se20 N24",
"formula_reduced": "MnH30C6Se5N6",
"formula_anonymous": "AB5C6D6E30",
"energy": -991.43551441,
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"updated_at": "2021-11-28T01:34:29.222000Z",
"spacegroup": 52
},
{
"id": "mp-705194",
"created_at": "2022-09-04T14:40:25.791195Z",
"structure_string": "Mn16 Sn8 C80 Br8 O80\n1.0\n12.605288 0.000000 0.000000\n0.000000 16.794212 0.000000\n0.000000 5.408401 16.542480\nMn Sn C Br O\n16 8 80 8 80\ndirect\n0.171748 0.605690 0.339526 Mn\n0.943418 0.918225 0.337223 Mn\n0.443418 0.081775 0.162777 Mn\n0.828252 0.394310 0.660474 Mn\n0.328252 0.605690 0.839526 Mn\n0.161609 0.812631 0.078039 Mn\n0.697877 0.705306 0.320439 Mn\n0.802123 0.705306 0.820439 Mn\n0.338391 0.812631 0.578039 Mn\n0.197877 0.294694 0.179561 Mn\n0.838391 0.187369 0.921961 Mn\n0.302123 0.294694 0.679561 Mn\n0.556582 0.918225 0.837223 Mn\n0.671748 0.394310 0.160474 Mn\n0.056582 0.081775 0.662777 Mn\n0.661609 0.187369 0.421961 Mn\n0.623380 0.800137 0.764957 Sn\n0.055091 0.714310 0.213041 Sn\n0.876620 0.800137 0.264957 Sn\n0.123380 0.199863 0.735043 Sn\n0.944909 0.285690 0.786959 Sn\n0.444909 0.714310 0.713041 Sn\n0.376620 0.199863 0.235043 Sn\n0.555091 0.285690 0.286959 Sn\n0.054534 0.606541 0.403905 C\n0.401763 0.909132 0.588989 C\n0.170392 0.291338 0.286224 C\n0.192052 0.088163 0.619689 C\n0.514947 0.997746 0.882279 C\n0.792805 0.290228 0.928545 C\n0.753913 0.465801 0.577687 C\n0.281650 0.613579 0.266092 C\n0.329608 0.291338 0.786224 C\n0.707195 0.290228 0.428545 C\n0.454567 0.802701 0.514717 C\n0.746087 0.465801 0.077687 C\n0.514677 0.829069 0.925844 C\n0.610853 0.479303 0.193949 C\n0.718350 0.386421 0.733908 C\n0.635802 0.810501 0.294983 C\n0.268864 0.812047 0.151077 C\n0.731136 0.187953 0.848923 C\n0.599274 0.999454 0.742129 C\n0.400726 0.000546 0.257871 C\n0.445466 0.606541 0.903905 C\n0.389147 0.520697 0.806051 C\n0.598237 0.090868 0.411011 C\n0.864198 0.810501 0.794983 C\n0.829608 0.708662 0.713776 C\n0.775782 0.300168 0.639248 C\n0.807948 0.911837 0.380311 C\n0.218350 0.613579 0.766092 C\n0.985323 0.829069 0.425844 C\n0.292805 0.709772 0.571455 C\n0.774416 0.606512 0.336131 C\n0.900726 0.999454 0.242129 C\n0.231136 0.812047 0.651077 C\n0.741637 0.126326 0.506572 C\n0.110853 0.520697 0.306051 C\n0.253913 0.534199 0.922313 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C\n0.945466 0.393459 0.596095 C\n0.014677 0.170931 0.574156 C\n0.275782 0.699832 0.860752 C\n0.207195 0.709772 0.071455 C\n0.985053 0.997746 0.382279 C\n0.258363 0.873674 0.493428 C\n0.925061 0.650631 0.859747 C\n0.307948 0.088163 0.119689 C\n0.014947 0.002254 0.617721 C\n0.485323 0.170931 0.074156 C\n0.740608 0.708433 0.421744 C\n0.817732 0.882304 0.119062 Br\n0.938225 0.621358 0.152284 Br\n0.317732 0.117696 0.380938 Br\n0.438225 0.378642 0.347716 Br\n0.182268 0.117696 0.880938 Br\n0.561775 0.621358 0.652284 Br\n0.061775 0.378642 0.847716 Br\n0.682268 0.882304 0.619062 Br\n0.003912 0.617647 0.885616 O\n0.725396 0.909305 0.410051 O\n0.905902 0.875134 0.777174 O\n0.225396 0.090695 0.089949 O\n0.486178 0.775482 0.981767 O\n0.621005 0.053084 0.684433 O\n0.703634 0.087120 0.057856 O\n0.016754 0.393986 0.553828 O\n0.490246 0.049307 0.910083 O\n0.234512 0.646791 0.063919 O\n0.647340 0.382199 0.777069 O\n0.423667 0.466072 0.786794 O\n0.986178 0.224518 0.518233 O\n0.594098 0.875134 0.277174 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"elements": [
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],
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"density": 2.2327481895685652,
"density_atomic": 0.05482620764998812,
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"volume_molar": 10.98405492213778,
"formula_full": "Mn16 Sn8 C80 Br8 O80",
"formula_reduced": "Mn2SnC10BrO10",
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"updated_at": "2021-11-28T01:34:57.299000Z",
"spacegroup": 14
},
{
"id": "mp-707854",
"created_at": "2022-09-04T14:41:28.587254Z",
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"elements": [
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],
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"density": 2.197600218187411,
"density_atomic": 0.09890396851863925,
"volume": 1941.2770071386574,
"volume_molar": 6.088876766219021,
"formula_full": "Cs4 H96 Ru4 S8 O80",
"formula_reduced": "CsH24Ru(SO10)2",
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"energy": -1065.80343953,
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"updated_at": "2021-11-28T01:35:23.477000Z",
"spacegroup": 205
},
{
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{
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"updated_at": "2021-11-28T01:35:06.121000Z",
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}
]
}