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{
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{
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"structure_string": "Sr6 Dy2 Rh2 O12\n1.0\n4.759025 -4.940887 0.000000\n4.759025 4.940887 0.000000\n-0.370672 0.000000 6.850057\nSr Dy Rh O\n6 2 2 12\ndirect\n0.881256 0.618744 0.250000 Sr\n0.618744 0.250000 0.881256 Sr\n0.250000 0.881256 0.618744 Sr\n0.118744 0.381256 0.750000 Sr\n0.750000 0.118744 0.381256 Sr\n0.381256 0.750000 0.118744 Sr\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.250000 Dy\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.590462 0.792141 0.456369 O\n0.456369 0.590462 0.792141 O\n0.792141 0.456369 0.590462 O\n0.909538 0.043631 0.707859 O\n0.707859 0.909538 0.043631 O\n0.043631 0.707859 0.909538 O\n0.409538 0.207859 0.543631 O\n0.543631 0.409538 0.207859 O\n0.207859 0.543631 0.409538 O\n0.090462 0.956369 0.292141 O\n0.956369 0.292141 0.090462 O\n0.292141 0.090462 0.956369 O\n",
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{
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{
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{
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"structure_string": "Sr2 Dy1 Sb1 O6\n1.0\n0.000000 -4.196355 -4.196355\n4.196355 0.000000 -4.196355\n4.196355 -4.196355 -0.000000\nSr Dy Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n0.737555 0.262445 0.262445 O\n0.262445 0.737555 0.737555 O\n0.737555 0.262445 0.737555 O\n0.262445 0.737555 0.262445 O\n0.737555 0.737555 0.262445 O\n0.262445 0.262445 0.737555 O\n",
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{
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"structure_string": "Sr2 Dy1 Se1 O6\n1.0\n-0.000000 -4.131221 -4.131221\n4.131221 0.000000 -4.131221\n4.131221 -4.131221 0.000000\nSr Dy Se O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Se\n0.734548 0.265452 0.265452 O\n0.265452 0.734548 0.734548 O\n0.734548 0.265452 0.734548 O\n0.265452 0.734548 0.265452 O\n0.734548 0.734548 0.265452 O\n0.265452 0.265452 0.734548 O\n",
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{
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{
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.934000Z",
"spacegroup": 225
},
{
"id": "mp-1519670",
"created_at": "2022-09-04T14:47:56.291822Z",
"structure_string": "Sr2 Dy1 W1 O6\n1.0\n0.000000 -4.201812 -4.201812\n4.201812 -0.000000 -4.201812\n4.201812 -4.201812 0.000000\nSr Dy W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.736887 0.263113 0.263113 O\n0.263113 0.736887 0.736887 O\n0.736887 0.263113 0.736887 O\n0.263113 0.736887 0.263113 O\n0.736887 0.736887 0.263113 O\n0.263113 0.263113 0.736887 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Dy",
"W",
"O"
],
"chemical_system": "Dy-O-Sr-W",
"density": 6.911939724752629,
"density_atomic": 0.06740003983552574,
"volume": 148.36786483216767,
"volume_molar": 8.934921662799674,
"formula_full": "Sr2 Dy1 W1 O6",
"formula_reduced": "Sr2DyWO6",
"formula_anonymous": "ABC2D6",
"energy": -81.02849805,
"energy_per_atom": -8.102849805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.46849805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.137000Z",
"spacegroup": 225
}
]
}