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"structure_string": "Y2 Re8 Si4\n1.0\n7.412954 0.000000 0.000000\n0.000000 7.412954 0.000000\n0.000000 0.000000 4.146088\nY Re Si\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.657800 0.906063 0.000000 Re\n0.157800 0.593937 0.500000 Re\n0.093937 0.342200 0.000000 Re\n0.906063 0.657800 0.000000 Re\n0.406063 0.842200 0.500000 Re\n0.593937 0.157800 0.500000 Re\n0.342200 0.093937 0.000000 Re\n0.842200 0.406063 0.500000 Re\n0.209028 0.790972 0.000000 Si\n0.790972 0.209028 0.000000 Si\n0.709028 0.709028 0.500000 Si\n0.290972 0.290972 0.500000 Si\n",
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],
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"formula_full": "Y2 Re8 Si4",
"formula_reduced": "Y(Re2Si)2",
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"updated_at": "2021-11-28T01:38:47.677000Z",
"spacegroup": 136
},
{
"id": "mp-1203254",
"created_at": "2022-09-04T14:48:16.581367Z",
"structure_string": "Na6 Li2 Mo4 O28\n1.0\n4.156459 7.102237 0.000000\n-4.156459 7.102237 0.000000\n0.000000 4.759758 10.119254\nNa Li Mo O\n6 2 4 28\ndirect\n0.452655 0.488301 0.539798 Na\n0.488301 0.452655 0.039798 Na\n0.675739 0.951035 0.538095 Na\n0.951035 0.675739 0.038095 Na\n0.995329 0.176145 0.538148 Na\n0.176145 0.995329 0.038148 Na\n0.958434 0.457833 0.783540 Li\n0.457833 0.958434 0.283540 Li\n0.304559 0.800339 0.753033 Mo\n0.800339 0.304559 0.253033 Mo\n0.077140 0.579956 0.422620 Mo\n0.579956 0.077140 0.922620 Mo\n0.242802 0.744600 0.930834 O\n0.744600 0.242802 0.430834 O\n0.560121 0.722106 0.691687 O\n0.722106 0.560121 0.191687 O\n0.192672 0.055507 0.687001 O\n0.055507 0.192672 0.187001 O\n0.226428 0.681468 0.692170 O\n0.681468 0.226428 0.192170 O\n0.278513 0.646784 0.370959 O\n0.646784 0.278513 0.870959 O\n0.142905 0.367503 0.370647 O\n0.367503 0.142905 0.870647 O\n0.863159 0.777401 0.371330 O\n0.777401 0.863159 0.871330 O\n0.020284 0.520824 0.595022 O\n0.520824 0.020284 0.095022 O\n0.699968 0.632427 0.883445 O\n0.632427 0.699968 0.383445 O\n0.139321 0.443526 0.880133 O\n0.443526 0.139321 0.380133 O\n0.935037 0.200009 0.886632 O\n0.200009 0.935037 0.386632 O\n0.418807 0.186470 0.644133 O\n0.186470 0.418807 0.144133 O\n0.693486 0.391748 0.647336 O\n0.391748 0.693486 0.147336 O\n0.890148 0.929111 0.647336 O\n0.929111 0.890148 0.147336 O\n",
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"elements": [
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],
"chemical_system": "Li-Mo-Na-O",
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"density_atomic": 0.06695188935259165,
"volume": 597.4439315572748,
"volume_molar": 8.994728630114288,
"formula_full": "Na6 Li2 Mo4 O28",
"formula_reduced": "Na3Li(MoO7)2",
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"energy": -230.39539689,
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"updated_at": "2021-11-28T01:38:39.845000Z",
"spacegroup": 9
},
{
"id": "mp-1414055",
"created_at": "2022-09-04T14:48:16.622170Z",
"structure_string": "K2 Cr2 Cd1 H4 O10\n1.0\n6.044537 0.000000 0.000000\n-2.212431 6.121749 0.000000\n-0.873253 -3.109040 7.039169\nK Cr Cd H O\n2 2 1 4 10\ndirect\n0.107496 0.461106 0.244171 K\n0.892504 0.538894 0.755829 K\n0.436107 0.109040 0.240203 Cr\n0.563893 0.890960 0.759797 Cr\n0.000000 0.000000 0.000000 Cd\n0.721149 0.726459 0.400519 H\n0.278851 0.273541 0.599481 H\n0.621732 0.536442 0.313742 H\n0.378268 0.463558 0.686258 H\n0.776810 0.684751 0.287540 O\n0.275577 0.823600 0.367973 O\n0.724423 0.176400 0.632027 O\n0.386418 0.260732 0.379468 O\n0.613582 0.739268 0.620532 O\n0.324249 0.177460 0.085899 O\n0.675751 0.822540 0.914101 O\n0.766573 0.198513 0.118679 O\n0.233427 0.801487 0.881321 O\n0.223190 0.315249 0.712460 O\n",
"nsites": 19,
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"elements": [
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"Cd",
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"O"
],
"chemical_system": "Cd-Cr-H-K-O",
"density": 2.9237982452541726,
"density_atomic": 0.07294468438786574,
"volume": 260.471344271943,
"volume_molar": 8.255763679747686,
"formula_full": "K2 Cr2 Cd1 H4 O10",
"formula_reduced": "K2Cr2Cd(H2O5)2",
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"updated_at": "2021-11-28T01:38:40.649000Z",
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}
]
}