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"structure_string": "Sr1 Hf1 Ti1 In1 O6\n1.0\n0.000000 -4.034614 -4.034614\n4.034614 -0.000000 -4.034614\n4.034614 -4.034614 0.000000\nSr Hf Ti In O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 In\n0.744037 0.255963 0.255963 O\n0.255963 0.744037 0.744037 O\n0.744037 0.255963 0.744037 O\n0.255963 0.744037 0.255963 O\n0.744037 0.744037 0.255963 O\n0.255963 0.255963 0.744037 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Hf",
"Ti",
"In",
"O"
],
"chemical_system": "Hf-In-O-Sr-Ti",
"density": 6.634372278637812,
"density_atomic": 0.07613143761503292,
"volume": 131.35178203997816,
"volume_molar": 7.910189205215884,
"formula_full": "Sr1 Hf1 Ti1 In1 O6",
"formula_reduced": "SrHfTiInO6",
"formula_anonymous": "ABCDE6",
"energy": -83.23596666,
"energy_per_atom": -8.323596666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.11396666,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.586000Z",
"spacegroup": 216
},
{
"id": "mp-1519757",
"created_at": "2022-09-04T14:40:54.588357Z",
"structure_string": "Ba1 Na1 Mn1 Sn1 O6\n1.0\n-0.000000 -4.024472 -4.024472\n4.024472 0.000000 -4.024472\n4.024472 -4.024472 0.000000\nBa Na Mn Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n0.757971 0.242029 0.242029 O\n0.242029 0.757971 0.757971 O\n0.757971 0.242029 0.757971 O\n0.242029 0.757971 0.242029 O\n0.757971 0.757971 0.242029 O\n0.242029 0.242029 0.757971 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Sn",
"O"
],
"chemical_system": "Ba-Mn-Na-O-Sn",
"density": 5.476734049102104,
"density_atomic": 0.07670846175138256,
"volume": 130.36371440233924,
"volume_molar": 7.850686381273262,
"formula_full": "Ba1 Na1 Mn1 Sn1 O6",
"formula_reduced": "BaNaMnSnO6",
"formula_anonymous": "ABCDE6",
"energy": -66.25877213,
"energy_per_atom": -6.625877213,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -60.468772130000005,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.727000Z",
"spacegroup": 216
}
]
}