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{
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"structure_string": "Ba4 Tb4 Eu4 V4 O24\n1.0\n11.592879 0.000000 0.000000\n0.000000 11.204565 0.000000\n0.000000 0.000000 10.367638\nBa Tb Eu V O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.750945 0.751219 0.746118 Tb\n0.249055 0.248781 0.746118 Tb\n0.249055 0.751219 0.253882 Tb\n0.750945 0.248781 0.253882 Tb\n0.000000 0.500000 0.500000 Eu\n0.500000 -0.000000 0.000000 Eu\n-0.000000 0.500000 0.000000 Eu\n-0.000000 -0.000000 0.500000 Eu\n0.251762 0.247104 0.252962 V\n0.748238 0.752896 0.252962 V\n0.748238 0.247104 0.747038 V\n0.251762 0.752896 0.747038 V\n0.016901 0.224979 0.278714 O\n0.983099 0.775021 0.278714 O\n0.983099 0.224979 0.721286 O\n0.016901 0.775021 0.721286 O\n0.274915 0.018934 0.220361 O\n0.274915 0.981066 0.779639 O\n0.725085 0.981066 0.220361 O\n0.725085 0.018934 0.779639 O\n0.219705 0.278508 0.026657 O\n0.780295 0.278508 0.973343 O\n0.219705 0.721492 0.973343 O\n0.780295 0.721492 0.026657 O\n0.478687 0.266629 0.228087 O\n0.521313 0.733371 0.228087 O\n0.521313 0.266629 0.771913 O\n0.478687 0.733371 0.771913 O\n0.219184 0.483033 0.275868 O\n0.219184 0.516967 0.724132 O\n0.780816 0.516967 0.275868 O\n0.780816 0.483033 0.724132 O\n0.267111 0.228200 0.474135 O\n0.732889 0.228200 0.525865 O\n0.267111 0.771800 0.525865 O\n0.732889 0.771800 0.474135 O\n",
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"nelements": 5,
"elements": [
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],
"chemical_system": "Ba-Eu-O-Tb-V",
"density": 2.935435214488964,
"density_atomic": 0.02970255872258718,
"volume": 1346.6853267958418,
"volume_molar": 20.274821493477894,
"formula_full": "Ba4 Tb4 Eu4 V4 O24",
"formula_reduced": "BaTbEuVO6",
"formula_anonymous": "ABCDE6",
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"energy_per_atom": -5.5949803427500004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.51121371,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4074279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.211000Z",
"spacegroup": 16
},
{
"id": "mp-1523344",
"created_at": "2022-09-04T14:47:10.205760Z",
"structure_string": "K1 Sr1 La1 Mn1 O6\n1.0\n-0.000000 -4.246958 -4.246958\n4.246958 0.000000 -4.246958\n4.246958 -4.246958 0.000000\nK Sr La Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n-0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.725011 0.274989 0.274989 O\n0.274989 0.725011 0.725011 O\n0.725011 0.274989 0.725011 O\n0.274989 0.725011 0.274989 O\n0.725011 0.725011 0.274989 O\n0.274989 0.274989 0.725011 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "K-La-Mn-O-Sr",
"density": 4.515032774692084,
"density_atomic": 0.06527338061165218,
"volume": 153.20180916468215,
"volume_molar": 9.226028594763738,
"formula_full": "K1 Sr1 La1 Mn1 O6",
"formula_reduced": "KSrLaMnO6",
"formula_anonymous": "ABCDE6",
"energy": -70.02696434,
"energy_per_atom": -7.002696434000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.23696434,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.383000Z",
"spacegroup": 216
}
]
}