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"id": "mp-1026424",
"created_at": "2022-09-04T14:39:35.992500Z",
"structure_string": "Mg14 Ti1 Ga1\n1.0\n6.320672 0.062456 0.000000\n-3.106248 5.380178 0.000000\n0.000000 0.000000 10.185068\nMg Ti Ga\n14 1 1\ndirect\n0.167048 0.333523 0.625000 Mg\n0.166316 0.833157 0.625000 Mg\n0.665186 0.330531 0.125000 Mg\n0.665386 0.333566 0.625000 Mg\n0.665186 0.834654 0.125000 Mg\n0.665386 0.831819 0.625000 Mg\n0.330979 0.167657 0.369055 Mg\n0.330979 0.167657 0.880945 Mg\n0.330979 0.663324 0.369055 Mg\n0.330979 0.663324 0.880945 Mg\n0.839084 0.169542 0.372537 Mg\n0.839084 0.169542 0.877463 Mg\n0.836168 0.668084 0.371300 Mg\n0.836168 0.668084 0.878700 Mg\n0.161716 0.330857 0.125000 Ti\n0.169356 0.834678 0.125000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Ga"
],
"chemical_system": "Ga-Mg-Ti",
"density": 2.1826665398053784,
"density_atomic": 0.04593308046788985,
"volume": 348.33283195942016,
"volume_molar": 13.110683408681592,
"formula_full": "Mg14 Ti1 Ga1",
"formula_reduced": "Mg14TiGa",
"formula_anonymous": "ABC14",
"energy": -33.03975702,
"energy_per_atom": -2.06498481375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.03975702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0227833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.150000Z",
"spacegroup": 38
},
{
"id": "mp-1247488",
"created_at": "2022-09-04T14:39:46.909858Z",
"structure_string": "Ba2 Mg1 N2\n1.0\n0.000000 -4.181245 0.000000\n-4.179638 0.000000 0.000000\n2.089819 2.090623 -6.985173\nBa Mg N\n2 1 2\ndirect\n0.837659 0.837659 0.175317 Ba\n0.162341 0.162341 0.824683 Ba\n0.500000 0.500000 0.500000 Mg\n0.358374 0.358374 0.216746 N\n0.641626 0.641626 0.783254 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"N"
],
"chemical_system": "Ba-Mg-N",
"density": 4.447733334956658,
"density_atomic": 0.04095892530273122,
"volume": 122.07351543148496,
"volume_molar": 14.702877859928693,
"formula_full": "Ba2 Mg1 N2",
"formula_reduced": "Ba2MgN2",
"formula_anonymous": "AB2C2",
"energy": -24.54767994,
"energy_per_atom": -4.909535988,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.82567994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.789000Z",
"spacegroup": 139
}
]
}