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"elements": [
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],
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"density": 3.255483892115868,
"density_atomic": 0.06389103061245466,
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"volume_molar": 9.425643478078547,
"formula_full": "K8 Mo10 H8 Se4 O46",
"formula_reduced": "K4Mo5H4Se2O23",
"formula_anonymous": "A2B4C4D5E23",
"energy": -525.84547004,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -462.22347004,
"band_gap": 2.913,
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"total_magnetization": 0.0081008,
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"updated_at": "2021-11-28T01:35:01.048000Z",
"spacegroup": 5
},
{
"id": "mp-1245777",
"created_at": "2022-09-04T14:41:03.889860Z",
"structure_string": "Si4 Pb4 N8\n1.0\n5.676487 0.000000 0.000000\n0.000000 7.562346 0.000000\n0.000000 0.000000 5.164783\nSi Pb N\n4 4 8\ndirect\n0.514812 0.373181 0.002763 Si\n0.485188 0.626819 0.502763 Si\n0.985188 0.873181 0.502763 Si\n0.014812 0.126819 0.002763 Si\n0.578025 0.873662 0.017699 Pb\n0.421975 0.126338 0.517699 Pb\n0.921975 0.373662 0.517699 Pb\n0.078025 0.626338 0.017699 Pb\n0.505591 0.422000 0.335581 N\n0.494409 0.578000 0.835581 N\n0.994409 0.922000 0.835581 N\n0.005591 0.078000 0.335581 N\n0.730335 0.757670 0.413957 N\n0.269665 0.242330 0.913957 N\n0.769665 0.257670 0.913957 N\n0.230335 0.742330 0.413957 N\n",
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"elements": [
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],
"chemical_system": "N-Pb-Si",
"density": 7.888053780655388,
"density_atomic": 0.07216584680904162,
"volume": 221.7115257074122,
"volume_molar": 8.344862599527467,
"formula_full": "Si4 Pb4 N8",
"formula_reduced": "SiPbN2",
"formula_anonymous": "ABC2",
"energy": -112.39990984,
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"updated_at": "2021-11-28T01:35:21.239000Z",
"spacegroup": 33
},
{
"id": "mp-14322",
"created_at": "2022-09-04T14:41:00.742607Z",
"structure_string": "Ba3 Tm4 O9\n1.0\n8.592426 -3.037311 0.000000\n8.592426 3.037311 0.000000\n7.518776 0.000000 5.150053\nBa Tm O\n3 4 9\ndirect\n0.000461 0.000461 0.000461 Ba\n0.836161 0.836161 0.836161 Ba\n0.421332 0.421332 0.421332 Ba\n0.575024 0.575024 0.575024 Tm\n0.136231 0.136231 0.136231 Tm\n0.261429 0.261429 0.261429 Tm\n0.699832 0.699832 0.699832 Tm\n0.532948 0.428711 0.959508 O\n0.428711 0.959508 0.532948 O\n0.959508 0.532948 0.428711 O\n0.399001 0.311506 0.873772 O\n0.311506 0.873772 0.399001 O\n0.873772 0.399001 0.311506 O\n0.969722 0.419107 0.865756 O\n0.865756 0.969722 0.419107 O\n0.419107 0.865756 0.969722 O\n",
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],
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}
]
}