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"formula_full": "Sr2 Li6 Mn2 N6",
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},
{
"id": "mp-1181372",
"created_at": "2022-09-04T14:47:24.249833Z",
"structure_string": "Fe2 Br2 N6 O6\n1.0\n7.714704 0.000000 0.000000\n-3.857352 6.681723 0.000000\n0.000000 0.000000 6.507012\nFe Br N O\n2 2 6 6\ndirect\n0.333332 0.666663 0.529787 Fe\n0.666668 0.333337 0.029787 Fe\n0.333307 0.666614 0.156240 Br\n0.666693 0.333386 0.656240 Br\n0.205880 0.794114 0.630599 N\n0.205870 0.411739 0.630611 N\n0.588233 0.794114 0.630599 N\n0.794120 0.205886 0.130599 N\n0.794130 0.588261 0.130611 N\n0.411767 0.205886 0.130599 N\n0.137303 0.862702 0.743582 O\n0.137290 0.274580 0.743592 O\n0.725399 0.862702 0.743582 O\n0.862697 0.137298 0.243582 O\n0.862710 0.725420 0.243592 O\n0.274601 0.137298 0.243582 O\n",
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"elements": [
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],
"chemical_system": "Br-Fe-N-O",
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"density_atomic": 0.047701346683809036,
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"formula_full": "Fe2 Br2 N6 O6",
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},
{
"id": "mp-1179965",
"created_at": "2022-09-04T14:48:29.908990Z",
"structure_string": "Pd4 S4 N12 O12\n1.0\n7.259733 0.000000 0.000000\n0.000000 8.449026 0.000000\n0.000000 7.269761 12.940879\nPd S N O\n4 4 12 12\ndirect\n0.181746 0.039022 0.007097 Pd\n0.318254 0.039022 0.507097 Pd\n0.818254 0.960978 0.992903 Pd\n0.681746 0.960978 0.492903 Pd\n0.200318 0.343563 0.679359 S\n0.299682 0.343563 0.179359 S\n0.799682 0.656437 0.320641 S\n0.700318 0.656437 0.820641 S\n0.283763 0.922772 0.130454 N\n0.216237 0.922772 0.630454 N\n0.716237 0.077228 0.869546 N\n0.783763 0.077228 0.369546 N\n0.213489 0.276149 0.912392 N\n0.286511 0.276149 0.412392 N\n0.786511 0.723851 0.087608 N\n0.713489 0.723851 0.587608 N\n0.224464 0.931060 0.921948 N\n0.275536 0.931060 0.421948 N\n0.775536 0.068940 0.078052 N\n0.724464 0.068940 0.578052 N\n0.154768 0.520043 0.664677 O\n0.345232 0.520043 0.164677 O\n0.845232 0.479957 0.335323 O\n0.654768 0.479957 0.835323 O\n0.058106 0.211837 0.699993 O\n0.441894 0.211837 0.199993 O\n0.941894 0.788163 0.300007 O\n0.558106 0.788163 0.800007 O\n0.388386 0.299707 0.670365 O\n0.111614 0.299707 0.170365 O\n0.611614 0.700293 0.329635 O\n0.888386 0.700293 0.829635 O\n",
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"elements": [
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"N",
"O"
],
"chemical_system": "N-O-Pd-S",
"density": 1.9120995257832027,
"density_atomic": 0.04031427990886787,
"volume": 793.7634027530033,
"volume_molar": 14.937984192234868,
"formula_full": "Pd4 S4 N12 O12",
"formula_reduced": "PdS(NO)3",
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"updated_at": "2021-11-28T01:39:49.459000Z",
"spacegroup": 14
}
]
}