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{
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{
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{
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{
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"structure_string": "Si8 Pb16 O32\n1.0\n3.896140 6.173964 0.000000\n-3.896140 6.173964 0.000000\n0.000000 2.520548 19.612968\nSi Pb O\n8 16 32\ndirect\n0.043387 0.965256 0.418938 Si\n0.034744 0.956613 0.581062 Si\n0.467031 0.541139 0.418806 Si\n0.458861 0.532969 0.581194 Si\n0.294226 0.713682 0.918843 Si\n0.286318 0.705774 0.081157 Si\n0.716295 0.290631 0.918791 Si\n0.709369 0.283705 0.081209 Si\n0.769994 0.764070 0.091363 Pb\n0.235930 0.230006 0.908637 Pb\n0.229093 0.231566 0.091075 Pb\n0.768434 0.770907 0.908925 Pb\n0.880567 0.876071 0.247631 Pb\n0.123929 0.119433 0.752369 Pb\n0.383898 0.367264 0.250254 Pb\n0.632736 0.616102 0.749746 Pb\n0.985738 0.477988 0.591511 Pb\n0.522012 0.014262 0.408489 Pb\n0.513004 0.009519 0.591469 Pb\n0.990481 0.486996 0.408531 Pb\n0.133562 0.621299 0.753341 Pb\n0.378701 0.866438 0.246659 Pb\n0.630599 0.121892 0.745179 Pb\n0.878108 0.369401 0.254821 Pb\n0.046600 0.536362 0.295248 O\n0.463638 0.953400 0.704752 O\n0.538297 0.031063 0.294607 O\n0.968937 0.461703 0.705393 O\n0.086033 0.148596 0.375877 O\n0.851404 0.913967 0.624123 O\n0.650271 0.584090 0.375782 O\n0.415910 0.349729 0.624218 O\n0.871502 0.915325 0.388267 O\n0.084675 0.128498 0.611733 O\n0.416156 0.369205 0.388186 O\n0.630795 0.583844 0.611814 O\n0.255579 0.753485 0.415452 O\n0.246515 0.744421 0.584548 O\n0.983290 0.016710 0.500000 O\n0.517989 0.482011 0.500000 O\n0.291300 0.284196 0.795500 O\n0.715804 0.708700 0.204500 O\n0.791351 0.782727 0.794852 O\n0.217273 0.208649 0.205148 O\n0.337259 0.896674 0.875814 O\n0.103326 0.662741 0.124186 O\n0.899091 0.333509 0.875287 O\n0.666491 0.100909 0.124713 O\n0.122627 0.663634 0.887774 O\n0.336366 0.877373 0.112226 O\n0.663561 0.119714 0.888985 O\n0.880286 0.336439 0.111015 O\n0.507937 0.505216 0.915032 O\n0.494784 0.492063 0.084968 O\n0.234458 0.765542 0.000000 O\n0.767477 0.232523 0.000000 O\n",
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"elements": [
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],
"chemical_system": "O-Pb-Si",
"density": 7.130698613528671,
"density_atomic": 0.059349363380243984,
"volume": 943.5653023136065,
"volume_molar": 10.14693404782945,
"formula_full": "Si8 Pb16 O32",
"formula_reduced": "Si(PbO2)2",
"formula_anonymous": "AB2C4",
"energy": -388.38522394,
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"formation_energy": null,
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"energy_uncorrected": -366.40122394,
"band_gap": 2.461,
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"updated_at": "2021-11-28T01:37:07.078000Z",
"spacegroup": 5
},
{
"id": "mp-1110612",
"created_at": "2022-09-04T14:45:35.739873Z",
"structure_string": "Rb2 Ag1 Au1 F6\n1.0\n0.000000 4.477278 4.477278\n4.477278 0.000000 4.477278\n4.477278 4.477278 0.000000\nRb Ag Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.752514 0.247486 0.247486 F\n0.247486 0.247486 0.752514 F\n0.247486 0.752514 0.752514 F\n0.247486 0.752514 0.247486 F\n0.752514 0.247486 0.752514 F\n0.752514 0.752514 0.247486 F\n",
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"elements": [
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"Au",
"F"
],
"chemical_system": "Ag-Au-F-Rb",
"density": 5.455729285294859,
"density_atomic": 0.05570931532449055,
"volume": 179.50319334841777,
"volume_molar": 10.809934972136674,
"formula_full": "Rb2 Ag1 Au1 F6",
"formula_reduced": "Rb2AgAuF6",
"formula_anonymous": "ABC2D6",
"energy": -39.85113903,
"energy_per_atom": -3.985113903,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -37.07913903,
"band_gap": 0.0,
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"total_magnetization": 0.004419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.677000Z",
"spacegroup": 225
}
]
}