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"created_at": "2022-09-04T14:38:40.318633Z",
"updated_at": "2022-09-04T14:38:40.318666Z",
"structure_string": "Mn1 Fe2 N2\n1.0\n2.895591 -0.000042 0.000142\n-1.447501 2.507760 -0.000065\n0.000020 0.000024 6.237555\nMn Fe N\n1 2 2\ndirect\n0.000002 0.000001 0.499999 Mn\n0.666797 0.333370 0.166332 Fe\n0.333201 0.666648 0.833668 Fe\n0.666577 0.333309 0.705144 N\n0.333422 0.666706 0.294856 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"N"
],
"chemical_system": "Fe-Mn-N",
"density": 7.135928282500261,
"density_atomic": 0.11039160900529785,
"volume": 45.29329760706761,
"volume_molar": 5.4552522734866455,
"formula_full": "Mn1 Fe2 N2",
"formula_reduced": "Mn(FeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.540688948275861,
"spacegroup": 164
},
{
"id": "jvasp-48133",
"created_at": "2022-09-04T14:35:43.000298Z",
"updated_at": "2022-09-04T14:35:43.000326Z",
"structure_string": "Fe4 O7 F1\n1.0\n-0.054825 4.348805 2.874746\n-0.054825 4.348805 -2.874746\n-4.348805 0.054825 -2.874746\nFe O F\n4 7 1\ndirect\n0.775224 0.750000 0.525224 Fe\n0.241490 0.250000 0.491490 Fe\n0.500495 0.489711 0.990207 Fe\n0.979916 0.010290 0.990207 Fe\n0.547826 0.250000 0.797826 O\n0.060850 0.750001 0.810851 O\n0.503108 0.801032 0.696944 O\n-0.002026 0.306166 0.696943 O\n0.503108 0.193835 0.304139 O\n-0.002026 0.698969 0.304139 O\n0.942198 0.250000 0.192198 O\n0.449853 0.750000 0.199853 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.412661704047361,
"density_atomic": 0.11037759651224777,
"volume": 108.71771427518311,
"volume_molar": 5.455944820588451,
"formula_full": "Fe4 O7 F1",
"formula_reduced": "Fe4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.9702005652083336,
"spacegroup": 44
}
]
}