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{
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{
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"is_magnetic": false,
"total_magnetization": 0.0006096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.675000Z",
"spacegroup": 225
},
{
"id": "mp-1228293",
"created_at": "2022-09-04T14:48:09.063641Z",
"structure_string": "Ba4 Mn2 Ag2 As4 O17\n1.0\n5.993229 0.000000 0.000000\n0.040209 8.887232 0.000000\n0.056182 4.104830 8.710159\nBa Mn Ag As O\n4 2 2 4 17\ndirect\n0.239551 0.220488 0.893864 Ba\n0.767512 0.783321 0.096350 Ba\n0.248066 0.763908 0.766334 Ba\n0.764227 0.244614 0.231004 Ba\n0.495021 0.501359 0.499296 Mn\n0.998800 0.503111 0.498550 Mn\n0.253442 0.165929 0.498574 Ag\n0.748877 0.834084 0.496523 Ag\n0.252820 0.507742 0.179324 As\n0.746638 0.489518 0.822530 As\n0.279410 0.905038 0.294767 As\n0.759398 0.096976 0.693122 As\n0.492387 0.462772 0.291948 O\n0.989593 0.533167 0.712478 O\n0.507329 0.535458 0.709517 O\n0.008355 0.463551 0.288860 O\n0.253339 0.384069 0.082975 O\n0.748498 0.612898 0.919294 O\n0.246528 0.356455 0.581445 O\n0.744712 0.643398 0.414607 O\n0.249918 0.716466 0.060140 O\n0.744149 0.281011 0.943671 O\n0.242324 0.680358 0.405259 O\n0.752444 0.315398 0.603152 O\n0.799731 0.049038 0.537989 O\n0.302127 0.952371 0.457578 O\n0.981506 0.017484 0.815421 O\n0.522282 0.015582 0.798161 O\n0.017117 0.981434 0.210668 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Ag",
"As",
"O"
],
"chemical_system": "Ag-As-Ba-Mn-O",
"density": 5.1777740162707095,
"density_atomic": 0.0625092841078339,
"volume": 463.9310850204667,
"volume_molar": 9.633994127354406,
"formula_full": "Ba4 Mn2 Ag2 As4 O17",
"formula_reduced": "Ba4Mn2Ag2As4O17",
"formula_anonymous": "A2B2C4D4E17",
"energy": -197.81719882,
"energy_per_atom": -6.821282717931034,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.80219882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0034772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:34.389000Z",
"spacegroup": 1
}
]
}