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{
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"structure_string": "Ca1 Eu1 Zn1 W1 O6\n1.0\n-0.000000 -4.012048 -4.012048\n4.012048 0.000000 -4.012048\n4.012048 -4.012048 -0.000000\nCa Eu Zn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 -0.000000 Zn\n0.500000 0.500000 0.500000 W\n0.742267 0.257733 0.257733 O\n0.257733 0.742267 0.742267 O\n0.742267 0.257733 0.742267 O\n0.257733 0.742267 0.257733 O\n0.742267 0.742267 0.257733 O\n0.257733 0.257733 0.742267 O\n",
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{
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{
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.162000Z",
"spacegroup": 4
},
{
"id": "mp-1521091",
"created_at": "2022-09-04T14:40:01.886213Z",
"structure_string": "Na1 Sr1 Dy1 Se1 O6\n1.0\n0.000000 -4.023419 -4.023419\n4.023419 0.000000 -4.023419\n4.023419 -4.023419 0.000000\nNa Sr Dy Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Se\n0.726326 0.273674 0.273674 O\n0.273674 0.726326 0.726326 O\n0.726326 0.273674 0.726326 O\n0.273674 0.726326 0.273674 O\n0.726326 0.726326 0.273674 O\n0.273674 0.273674 0.726326 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Dy",
"Se",
"O"
],
"chemical_system": "Dy-Na-O-Se-Sr",
"density": 5.71183257081884,
"density_atomic": 0.07676870540390099,
"volume": 130.2614124777445,
"volume_molar": 7.844525615373979,
"formula_full": "Na1 Sr1 Dy1 Se1 O6",
"formula_reduced": "NaSrDySeO6",
"formula_anonymous": "ABCDE6",
"energy": -65.21974022,
"energy_per_atom": -6.521974022,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.09774022,
"band_gap": 2.0798,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.855000Z",
"spacegroup": 216
}
]
}