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{
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"structure_string": "Sr2 Ca2 Pr2 Sb2 O12\n1.0\n5.923544 0.000000 0.000000\n-0.000000 5.923544 0.000000\n0.000000 0.000000 8.606617\nSr Ca Pr Sb O\n2 2 2 2 12\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Ca\n-0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.752402 Pr\n0.000000 0.500000 0.247598 Pr\n0.500000 -0.000000 0.245243 Sb\n0.000000 0.500000 0.754757 Sb\n0.500000 0.000000 0.014806 O\n-0.000000 0.500000 0.985194 O\n0.500000 -0.000000 0.480369 O\n-0.000000 0.500000 0.519631 O\n0.695210 0.651608 0.757286 O\n0.304790 0.348392 0.757286 O\n0.848392 0.195210 0.757286 O\n0.151608 0.804790 0.757286 O\n0.804790 0.151608 0.242714 O\n0.195210 0.848392 0.242714 O\n0.651608 0.695210 0.242714 O\n0.348392 0.304790 0.242714 O\n",
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{
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"created_at": "2022-09-04T14:40:00.512404Z",
"structure_string": "K1 La1 Mn1 W1 O6\n1.0\n-0.000000 -4.069856 -4.069856\n4.069856 0.000000 -4.069856\n4.069856 -4.069856 -0.000000\nK La Mn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n-0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.738497 0.261503 0.261503 O\n0.261503 0.738497 0.738497 O\n0.738497 0.261503 0.738497 O\n0.261503 0.738497 0.261503 O\n0.738497 0.738497 0.261503 O\n0.261503 0.261503 0.738497 O\n",
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{
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"structure_string": "Ba1 Ca1 Sm1 Sb1 O6\n1.0\n0.000000 -4.265113 -4.265113\n4.265113 0.000000 -4.265113\n4.265113 -4.265113 0.000000\nBa Ca Sm Sb 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 Sm\n0.000000 0.000000 0.000000 Sb\n0.765610 0.234390 0.234390 O\n0.234390 0.765610 0.765610 O\n0.765610 0.234390 0.765610 O\n0.234390 0.765610 0.234390 O\n0.765610 0.765610 0.234390 O\n0.234390 0.234390 0.765610 O\n",
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"id": "mp-1520659",
"created_at": "2022-09-04T14:43:20.404376Z",
"structure_string": "K4 Ba4 Eu4 W4 O24\n1.0\n8.523656 0.000000 0.000000\n0.000000 8.533503 0.000000\n0.000000 0.000000 8.543205\nK Ba Eu W O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Ba\n-0.000000 0.000000 0.500000 Ba\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Eu\n0.250000 0.250000 0.750000 Eu\n0.250000 0.750000 0.250000 Eu\n0.750000 0.250000 0.250000 Eu\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.021514 0.223504 0.267515 O\n0.978486 0.776496 0.267515 O\n0.978486 0.223504 0.732485 O\n0.021514 0.776496 0.732485 O\n0.263204 0.022518 0.228140 O\n0.263204 0.977482 0.771860 O\n0.736796 0.977482 0.228140 O\n0.736796 0.022518 0.771860 O\n0.229905 0.269224 0.022642 O\n0.770095 0.269224 0.977358 O\n0.229905 0.730776 0.977358 O\n0.770095 0.730776 0.022642 O\n0.478486 0.276496 0.232485 O\n0.521514 0.723504 0.232485 O\n0.521514 0.276496 0.767515 O\n0.478486 0.723504 0.767515 O\n0.236796 0.477482 0.271860 O\n0.236796 0.522518 0.728140 O\n0.763204 0.522518 0.271860 O\n0.763204 0.477482 0.728140 O\n0.270095 0.230776 0.477358 O\n0.729905 0.230776 0.522642 O\n0.270095 0.769224 0.522642 O\n0.729905 0.769224 0.477358 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ba",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Eu-K-O-W",
"density": 6.501293437726804,
"density_atomic": 0.06437035498102942,
"volume": 621.4040611052774,
"volume_molar": 9.355456812029054,
"formula_full": "K4 Ba4 Eu4 W4 O24",
"formula_reduced": "KBaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -333.04850859,
"energy_per_atom": -8.32621271475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -298.80850859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.242000Z",
"spacegroup": 48
}
]
}