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{
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"id": "mp-1518821",
"created_at": "2022-09-04T14:41:07.266938Z",
"structure_string": "Ba1 Ca1 Nb1 In1 O6\n1.0\n-0.000000 -4.158804 -4.158804\n4.158804 0.000000 -4.158804\n4.158804 -4.158804 0.000000\nBa Ca Nb In O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Nb\n-0.000000 -0.000000 0.000000 In\n0.741078 0.258922 0.258922 O\n0.258922 0.741078 0.741078 O\n0.741078 0.258922 0.741078 O\n0.258922 0.741078 0.258922 O\n0.741078 0.741078 0.258922 O\n0.258922 0.258922 0.741078 O\n",
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"elements": [
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],
"chemical_system": "Ba-Ca-In-Nb-O",
"density": 5.553571542727039,
"density_atomic": 0.0695127780568945,
"volume": 143.85844271416178,
"volume_molar": 8.663357915390787,
"formula_full": "Ba1 Ca1 Nb1 In1 O6",
"formula_reduced": "BaCaNbInO6",
"formula_anonymous": "ABCDE6",
"energy": -75.23768821,
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"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -71.11568821,
"band_gap": 3.4029,
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"updated_at": "2021-11-28T01:35:12.348000Z",
"spacegroup": 216
},
{
"id": "mp-1521248",
"created_at": "2022-09-04T14:41:17.159322Z",
"structure_string": "K1 Ba1 La1 Se1 O6\n1.0\n0.000000 -4.207574 -4.207574\n4.207574 0.000000 -4.207574\n4.207574 -4.207574 0.000000\nK Ba La Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n0.719713 0.280287 0.280287 O\n0.280287 0.719713 0.719713 O\n0.719713 0.280287 0.719713 O\n0.280287 0.719713 0.280287 O\n0.719713 0.719713 0.280287 O\n0.280287 0.280287 0.719713 O\n",
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"elements": [
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],
"chemical_system": "Ba-K-La-O-Se",
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"density_atomic": 0.06712351889511799,
"volume": 148.97907863896745,
"volume_molar": 8.971729818589711,
"formula_full": "K1 Ba1 La1 Se1 O6",
"formula_reduced": "KBaLaSeO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:35:17.902000Z",
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}
]
}