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{
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"chemical_system": "Cr-Eu-Hf-O-Sn",
"density": 7.614776623726145,
"density_atomic": 0.07679269454470258,
"volume": 130.22072033399996,
"volume_molar": 7.842075077199419,
"formula_full": "Eu1 Hf1 Cr1 Sn1 O6",
"formula_reduced": "EuHfCrSnO6",
"formula_anonymous": "ABCDE6",
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"energy_uncorrected": -85.04391185,
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"total_magnetization": 9.0000006,
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"updated_at": "2021-11-28T01:35:29.925000Z",
"spacegroup": 216
},
{
"id": "mp-1517031",
"created_at": "2022-09-04T14:42:00.578180Z",
"structure_string": "Ba4 Ca4 Gd4 Nb4 O24\n1.0\n8.409057 0.000000 0.000000\n0.000000 8.392578 0.000000\n0.000000 0.000000 8.440344\nBa Ca Gd Nb O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n-0.000000 0.500000 -0.000000 Ca\n0.747550 0.744048 0.749525 Gd\n0.252450 0.255952 0.749525 Gd\n0.252450 0.744048 0.250475 Gd\n0.747550 0.255952 0.250475 Gd\n0.248599 0.256752 0.251777 Nb\n0.751401 0.743248 0.251777 Nb\n0.751401 0.256752 0.748223 Nb\n0.248599 0.743248 0.748223 Nb\n0.013712 0.224891 0.278445 O\n0.986288 0.775109 0.278445 O\n0.986288 0.224891 0.721555 O\n0.013712 0.775109 0.721555 O\n0.272293 0.017227 0.219574 O\n0.272293 0.982773 0.780426 O\n0.727707 0.982773 0.219574 O\n0.727707 0.017227 0.780426 O\n0.207191 0.296951 0.015351 O\n0.792809 0.296951 0.984649 O\n0.207191 0.703049 0.984649 O\n0.792809 0.703049 0.015351 O\n0.481268 0.302878 0.201971 O\n0.518732 0.697122 0.201971 O\n0.518732 0.302878 0.798029 O\n0.481268 0.697122 0.798029 O\n0.207835 0.484850 0.310259 O\n0.207835 0.515150 0.689741 O\n0.792165 0.515150 0.310259 O\n0.792165 0.484850 0.689741 O\n0.304044 0.210521 0.482875 O\n0.695956 0.210521 0.517125 O\n0.304044 0.789479 0.517125 O\n0.695956 0.789479 0.482875 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Ca",
"Gd",
"Nb",
"O"
],
"chemical_system": "Ba-Ca-Gd-Nb-O",
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"density_atomic": 0.06715172315388715,
"volume": 595.6660249556762,
"volume_molar": 8.967961620581889,
"formula_full": "Ba4 Ca4 Gd4 Nb4 O24",
"formula_reduced": "BaCaGdNbO6",
"formula_anonymous": "ABCDE6",
"energy": -367.19546293,
"energy_per_atom": -9.17988657325,
"energy_above_hull": null,
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"band_gap": 2.8243,
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"is_magnetic": true,
"total_magnetization": 28.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.181000Z",
"spacegroup": 16
}
]
}