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"formula_reduced": "Ba2SnWO6",
"formula_anonymous": "ABC2D6",
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"updated_at": "2021-11-28T01:38:28.664000Z",
"spacegroup": 201
},
{
"id": "mp-1518955",
"created_at": "2022-09-04T14:45:54.949140Z",
"structure_string": "Ba2 Sn1 W1 O6\n1.0\n0.000000 -4.361147 -4.361147\n4.361147 0.000000 -4.361147\n4.361147 -4.361147 -0.000000\nBa Sn W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n-0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 W\n0.724584 0.275416 0.275416 O\n0.275416 0.724584 0.724584 O\n0.724584 0.275416 0.724584 O\n0.275416 0.724584 0.275416 O\n0.724584 0.724584 0.275416 O\n0.275416 0.275416 0.724584 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sn",
"W",
"O"
],
"chemical_system": "Ba-O-Sn-W",
"density": 6.738469864156179,
"density_atomic": 0.06027924826394961,
"volume": 165.8945704865494,
"volume_molar": 9.990404547897423,
"formula_full": "Ba2 Sn1 W1 O6",
"formula_reduced": "Ba2SnWO6",
"formula_anonymous": "ABC2D6",
"energy": -75.60766781,
"energy_per_atom": -7.560766781,
"energy_above_hull": null,
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"energy_uncorrected": -67.04766781,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.360000Z",
"spacegroup": 225
},
{
"id": "mp-1353217",
"created_at": "2022-09-04T14:46:35.266488Z",
"structure_string": "Ba2 Tl2 Zn3 Sn4 O12\n1.0\n-1.968918 1.968918 25.555967\n1.968918 -1.968918 25.555967\n1.968918 1.968918 -25.555967\nBa Tl Zn Sn O\n2 2 3 4 12\ndirect\n0.170701 0.170701 0.000000 Ba\n0.829299 0.829299 0.000000 Ba\n0.727559 0.727559 0.000000 Tl\n0.272441 0.272441 0.000000 Tl\n0.073294 0.073294 0.000000 Zn\n0.926706 0.926706 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.541109 0.541109 0.000000 Sn\n0.380292 0.380292 0.000000 Sn\n0.619708 0.619708 0.000000 Sn\n0.458891 0.458891 0.000000 Sn\n0.865893 0.365893 0.500000 O\n0.062974 0.562974 0.500000 O\n0.232016 0.232016 0.000000 O\n0.437026 0.937026 0.500000 O\n0.767984 0.767984 0.000000 O\n0.634107 0.134107 0.500000 O\n0.134107 0.634107 0.500000 O\n0.311964 0.311964 0.000000 O\n0.365893 0.865893 0.500000 O\n0.562974 0.062974 0.500000 O\n0.937026 0.437026 0.500000 O\n0.688036 0.688036 0.000000 O\n",
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"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Ba-O-Sn-Tl-Zn",
"density": 6.480163280708805,
"density_atomic": 0.058039046279994906,
"volume": 396.28494046994217,
"volume_molar": 10.37601605468788,
"formula_full": "Ba2 Tl2 Zn3 Sn4 O12",
"formula_reduced": "Ba2Tl2Zn3(SnO3)4",
"formula_anonymous": "A2B2C3D4E12",
"energy": -124.13622478,
"energy_per_atom": -5.397227164347826,
"energy_above_hull": null,
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"energy_uncorrected": -115.89222478,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.7364166,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.977000Z",
"spacegroup": 139
}
]
}