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{
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{
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"structure_string": "Na1 Ca1 Dy1 Mn1 O6\n1.0\n0.000000 -4.073548 -4.073548\n4.073548 0.000000 -4.073548\n4.073548 -4.073548 0.000000\nNa Ca Dy Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Mn\n0.731408 0.268592 0.268592 O\n0.268592 0.731408 0.731408 O\n0.731408 0.268592 0.731408 O\n0.268592 0.731408 0.268592 O\n0.731408 0.731408 0.268592 O\n0.268592 0.268592 0.731408 O\n",
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{
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{
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"structure_string": "Na4 Sr4 Pr4 W4 O24\n1.0\n8.444918 0.000000 0.000000\n0.000000 8.454052 0.000000\n0.000000 0.000000 8.466747\nNa Sr Pr W O\n4 4 4 4 24\ndirect\n0.000000 0.000000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.750000 0.250000 Pr\n0.750000 0.250000 0.250000 Pr\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\n0.024581 0.202339 0.279209 O\n0.975419 0.797661 0.279209 O\n0.975419 0.202339 0.720791 O\n0.024581 0.797661 0.720791 O\n0.293499 0.025569 0.213346 O\n0.293499 0.974431 0.786654 O\n0.706501 0.974431 0.213346 O\n0.706501 0.025569 0.786654 O\n0.215044 0.291398 0.023359 O\n0.784956 0.291398 0.976641 O\n0.215044 0.708602 0.976641 O\n0.784956 0.708602 0.023359 O\n0.475419 0.297661 0.220791 O\n0.524581 0.702339 0.220791 O\n0.524581 0.297661 0.779209 O\n0.475419 0.702339 0.779209 O\n0.206501 0.474431 0.286654 O\n0.206501 0.525569 0.713346 O\n0.793499 0.525569 0.286654 O\n0.793499 0.474431 0.713346 O\n0.284956 0.208602 0.476641 O\n0.715044 0.208602 0.523359 O\n0.284956 0.791398 0.523359 O\n0.715044 0.791398 0.476641 O\n",
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"elements": [
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],
"chemical_system": "Na-O-Pr-Sr-W",
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"density_atomic": 0.06617334022590396,
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"volume_molar": 9.10055430093371,
"formula_full": "Na4 Sr4 Pr4 W4 O24",
"formula_reduced": "NaSrPrWO6",
"formula_anonymous": "ABCDE6",
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -281.09669973,
"band_gap": 3.0064,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.598000Z",
"spacegroup": 48
},
{
"id": "mp-1518315",
"created_at": "2022-09-04T14:42:38.128652Z",
"structure_string": "Sr1 Eu1 Dy1 Nb1 O6\n1.0\n0.000000 -4.214632 -4.214632\n4.214632 -0.000000 -4.214632\n4.214632 -4.214632 0.000000\nSr Eu Dy Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Nb\n0.738139 0.261861 0.261861 O\n0.261861 0.738139 0.738139 O\n0.738139 0.261861 0.738139 O\n0.261861 0.738139 0.261861 O\n0.738139 0.738139 0.261861 O\n0.261861 0.261861 0.738139 O\n",
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"elements": [
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],
"chemical_system": "Dy-Eu-Nb-O-Sr",
"density": 6.554172797190732,
"density_atomic": 0.06678685970553448,
"volume": 149.7300523499733,
"volume_molar": 9.016954512537081,
"formula_full": "Sr1 Eu1 Dy1 Nb1 O6",
"formula_reduced": "SrEuDyNbO6",
"formula_anonymous": "ABCDE6",
"energy": -90.16530808,
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"energy_uncorrected": -86.04330808,
"band_gap": 0.3102999999999998,
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"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.332000Z",
"spacegroup": 216
}
]
}