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"structure_string": "Ba1 Sr1 Y1 W1 O6\n1.0\n0.000000 -4.234419 -4.234419\n4.234419 -0.000000 -4.234419\n4.234419 -4.234419 -0.000000\nBa Sr Y W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 -0.000000 0.000000 W\n0.763926 0.236074 0.236074 O\n0.236074 0.763926 0.763926 O\n0.763926 0.236074 0.763926 O\n0.236074 0.763926 0.236074 O\n0.763926 0.763926 0.236074 O\n0.236074 0.236074 0.763926 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"W",
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],
"chemical_system": "Ba-O-Sr-W-Y",
"density": 6.492273363428358,
"density_atomic": 0.06585496378867467,
"volume": 151.84884213268276,
"volume_molar": 9.144551015660342,
"formula_full": "Ba1 Sr1 Y1 W1 O6",
"formula_reduced": "BaSrYWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.18615233,
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"energy_uncorrected": -74.62615233,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
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"updated_at": "2021-11-28T01:37:41.046000Z",
"spacegroup": 216
},
{
"id": "mp-1516741",
"created_at": "2022-09-04T14:46:37.059315Z",
"structure_string": "Pr4 Eu4 Fe4 Cu4 O24\n1.0\n11.621926 0.000000 0.000000\n0.000000 12.144879 0.000000\n0.000000 0.000000 12.015426\nPr Eu Fe Cu O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n-0.000000 0.500000 0.000000 Pr\n-0.000000 0.000000 0.500000 Pr\n-0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.000000 Eu\n-0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.250000 Fe\n0.750000 0.250000 0.750000 Fe\n0.250000 0.750000 0.750000 Fe\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.750000 Cu\n0.250000 0.750000 0.250000 Cu\n0.750000 0.250000 0.250000 Cu\n0.974573 0.200943 0.291188 O\n0.025427 0.799057 0.291188 O\n0.025427 0.200943 0.708812 O\n0.974573 0.799057 0.708812 O\n0.293780 0.974570 0.204121 O\n0.293780 0.025430 0.795879 O\n0.706220 0.025430 0.204121 O\n0.706220 0.974570 0.795879 O\n0.203103 0.295332 0.976165 O\n0.796897 0.295332 0.023835 O\n0.203103 0.704668 0.023835 O\n0.796897 0.704668 0.976165 O\n0.525427 0.299057 0.208812 O\n0.474573 0.700943 0.208812 O\n0.474573 0.299057 0.791188 O\n0.525427 0.700943 0.791188 O\n0.206220 0.525430 0.295879 O\n0.206220 0.474570 0.704121 O\n0.793780 0.474570 0.295879 O\n0.793780 0.525430 0.704121 O\n0.296897 0.204668 0.523835 O\n0.703103 0.204668 0.476165 O\n0.296897 0.795332 0.476165 O\n0.703103 0.795332 0.523835 O\n",
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"elements": [
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],
"chemical_system": "Cu-Eu-Fe-O-Pr",
"density": 1.9905988002864488,
"density_atomic": 0.02358574072838409,
"volume": 1695.9399520517195,
"volume_molar": 25.532972779407764,
"formula_full": "Pr4 Eu4 Fe4 Cu4 O24",
"formula_reduced": "PrEuFeCuO6",
"formula_anonymous": "ABCDE6",
"energy": -136.53176025,
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"updated_at": "2021-11-28T01:37:41.730000Z",
"spacegroup": 48
}
]
}