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{
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{
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{
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"structure_string": "K16 Te16 As8\n1.0\n8.367508 0.000000 0.000000\n0.000000 9.222823 0.000000\n0.000000 0.000000 20.493696\nK Te As\n16 16 8\ndirect\n0.250000 0.419596 0.543421 K\n0.750000 0.580404 0.456579 K\n0.750000 0.919596 0.956579 K\n0.250000 0.080404 0.043421 K\n0.250000 0.498462 0.188204 K\n0.750000 0.501538 0.811796 K\n0.750000 0.998462 0.311796 K\n0.250000 0.001538 0.688204 K\n0.250000 0.603759 0.716436 K\n0.750000 0.396241 0.283564 K\n0.750000 0.103759 0.783564 K\n0.250000 0.896241 0.216436 K\n0.250000 0.925247 0.442562 K\n0.750000 0.074753 0.557438 K\n0.750000 0.425247 0.057438 K\n0.250000 0.574753 0.942562 K\n0.996713 0.238959 0.417982 Te\n0.496713 0.761041 0.582018 Te\n0.003287 0.738959 0.082018 Te\n0.503287 0.261041 0.917982 Te\n0.003287 0.761041 0.582018 Te\n0.503287 0.238959 0.417982 Te\n0.996713 0.261041 0.917982 Te\n0.496713 0.738959 0.082018 Te\n0.991970 0.180869 0.179146 Te\n0.491970 0.819131 0.820854 Te\n0.008030 0.680869 0.320854 Te\n0.508030 0.319131 0.679146 Te\n0.008030 0.819131 0.820854 Te\n0.508030 0.180869 0.179146 Te\n0.991970 0.319131 0.679146 Te\n0.491970 0.680869 0.320854 Te\n0.250000 0.312523 0.348967 As\n0.750000 0.687477 0.651033 As\n0.750000 0.812523 0.151033 As\n0.250000 0.187477 0.848967 As\n0.250000 0.573028 0.386786 As\n0.750000 0.426972 0.613214 As\n0.750000 0.073028 0.113214 As\n0.250000 0.926972 0.886786 As\n",
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{
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"id": "mp-1202253",
"created_at": "2022-09-04T14:39:08.311212Z",
"structure_string": "Eu8 Si12 Ni32\n1.0\n9.988713 0.000000 0.000000\n0.000000 9.988713 0.000000\n0.000000 0.000000 7.487501\nEu Si Ni\n8 12 32\ndirect\n0.500000 0.706093 0.641535 Eu\n0.500000 0.293907 0.641535 Eu\n0.206093 0.000000 0.141535 Eu\n0.793907 0.000000 0.141535 Eu\n0.000000 0.793907 0.858465 Eu\n0.000000 0.206093 0.858465 Eu\n0.293907 0.500000 0.358465 Eu\n0.706093 0.500000 0.358465 Eu\n0.500000 0.000000 0.264942 Si\n0.500000 0.000000 0.764942 Si\n0.000000 0.500000 0.235058 Si\n0.000000 0.500000 0.735058 Si\n0.292442 0.707558 0.000000 Si\n0.292442 0.292442 0.000000 Si\n0.707558 0.707558 0.000000 Si\n0.707558 0.292442 0.000000 Si\n0.207558 0.792442 0.500000 Si\n0.207558 0.207558 0.500000 Si\n0.792442 0.792442 0.500000 Si\n0.792442 0.207558 0.500000 Si\n0.500000 0.862542 0.007499 Ni\n0.500000 0.137458 0.007499 Ni\n0.362542 0.000000 0.507499 Ni\n0.637458 0.000000 0.507499 Ni\n0.000000 0.637458 0.492501 Ni\n0.000000 0.362542 0.492501 Ni\n0.137458 0.500000 0.992501 Ni\n0.862542 0.500000 0.992501 Ni\n0.372981 0.792734 0.281857 Ni\n0.372981 0.207266 0.281857 Ni\n0.627019 0.792734 0.281857 Ni\n0.627019 0.207266 0.281857 Ni\n0.292734 0.872981 0.781857 Ni\n0.292734 0.127019 0.781857 Ni\n0.707266 0.872981 0.781857 Ni\n0.707266 0.127019 0.781857 Ni\n0.127019 0.707266 0.218143 Ni\n0.127019 0.292734 0.218143 Ni\n0.872981 0.707266 0.218143 Ni\n0.872981 0.292734 0.218143 Ni\n0.207266 0.627019 0.718143 Ni\n0.207266 0.372981 0.718143 Ni\n0.792734 0.627019 0.718143 Ni\n0.792734 0.372981 0.718143 Ni\n0.500000 0.627529 0.102286 Ni\n0.500000 0.372471 0.102286 Ni\n0.127529 0.000000 0.602286 Ni\n0.872471 0.000000 0.602286 Ni\n0.000000 0.872471 0.397714 Ni\n0.000000 0.127529 0.397714 Ni\n0.372471 0.500000 0.897714 Ni\n0.627529 0.500000 0.897714 Ni\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Eu",
"Si",
"Ni"
],
"chemical_system": "Eu-Ni-Si",
"density": 7.626136711101969,
"density_atomic": 0.0696061126907978,
"volume": 747.0608254047004,
"volume_molar": 8.651741243978634,
"formula_full": "Eu8 Si12 Ni32",
"formula_reduced": "Eu2Si3Ni8",
"formula_anonymous": "A2B3C8",
"energy": -359.94590278000004,
"energy_per_atom": -6.922036591923078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.79790278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 55.223708,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.621000Z",
"spacegroup": 137
}
]
}