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{
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{
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"structure_string": "Ag16 Te16\n1.0\n4.742659 0.000000 0.000000\n0.000000 8.933630 0.000000\n0.000000 0.000000 20.358743\nAg Te\n16 16\ndirect\n0.363112 0.015168 0.931491 Ag\n0.748611 0.250000 0.155775 Ag\n0.636888 0.515168 0.068509 Ag\n0.248611 0.750000 0.344225 Ag\n0.320104 0.750000 0.552173 Ag\n0.136888 0.015168 0.431491 Ag\n0.820104 0.250000 0.947827 Ag\n0.363112 0.484832 0.931491 Ag\n0.863112 0.515168 0.568509 Ag\n0.179896 0.750000 0.052173 Ag\n0.636888 0.984832 0.068509 Ag\n0.136888 0.484832 0.431491 Ag\n0.251389 0.750000 0.844225 Ag\n0.679896 0.250000 0.447827 Ag\n0.751389 0.250000 0.655775 Ag\n0.863112 0.984832 0.568509 Ag\n0.595687 0.022864 0.342564 Te\n0.095687 0.977136 0.157436 Te\n0.652554 0.750000 0.741000 Te\n0.847446 0.750000 0.241000 Te\n0.095687 0.522864 0.157436 Te\n0.829342 0.750000 0.469401 Te\n0.152554 0.250000 0.759000 Te\n0.595687 0.477136 0.342564 Te\n0.404313 0.522864 0.657436 Te\n0.170658 0.250000 0.530599 Te\n0.404313 0.977136 0.657436 Te\n0.670658 0.750000 0.969401 Te\n0.904313 0.022864 0.842564 Te\n0.347446 0.250000 0.259000 Te\n0.329342 0.250000 0.030599 Te\n0.904313 0.477136 0.842564 Te\n",
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{
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{
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"formula_full": "Sr16 Sn4 N16",
"formula_reduced": "Sr4SnN4",
"formula_anonymous": "AB4C4",
"energy": -198.20085256,
"energy_per_atom": -5.505579237777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.42485256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3063526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.610000Z",
"spacegroup": 62
}
]
}