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"created_at": "2022-09-04T14:41:11.897069Z",
"structure_string": "Ba1 Mn2 Ge2\n1.0\n-2.143957 2.143957 6.094076\n2.143957 -2.143957 6.094076\n2.143957 2.143957 -6.094076\nBa Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.648058 0.648058 0.000000 Ge\n0.351942 0.351942 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Ge"
],
"chemical_system": "Ba-Ge-Mn",
"density": 5.816611380186937,
"density_atomic": 0.04462415500475281,
"volume": 112.04693958837903,
"volume_molar": 13.4952488385687,
"formula_full": "Ba1 Mn2 Ge2",
"formula_reduced": "Ba(MnGe)2",
"formula_anonymous": "AB2C2",
"energy": -30.67022151,
"energy_per_atom": -6.134044302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.67022151,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7798911,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.938000Z",
"spacegroup": 139
},
{
"id": "mp-1104529",
"created_at": "2022-09-04T14:40:13.836977Z",
"structure_string": "Fe1 Mo6 Se8\n1.0\n4.660141 -4.863323 0.000000\n4.660141 4.863323 0.000000\n-0.415222 0.000000 6.722828\nFe Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.226712 0.546536 0.420187 Mo\n0.773288 0.453464 0.579813 Mo\n0.420187 0.226712 0.546536 Mo\n0.579813 0.773288 0.453464 Mo\n0.546536 0.420187 0.226712 Mo\n0.453464 0.579813 0.773288 Mo\n0.127419 0.364488 0.748417 Se\n0.872581 0.635512 0.251583 Se\n0.216165 0.216165 0.216165 Se\n0.783835 0.783835 0.783835 Se\n0.364488 0.748417 0.127419 Se\n0.635512 0.251583 0.872581 Se\n0.748417 0.127419 0.364488 Se\n0.251583 0.872581 0.635512 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Fe",
"Mo",
"Se"
],
"chemical_system": "Fe-Mo-Se",
"density": 6.883273302407025,
"density_atomic": 0.049224021482906145,
"volume": 304.7292672990767,
"volume_molar": 12.234150275778031,
"formula_full": "Fe1 Mo6 Se8",
"formula_reduced": "Fe(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -111.20178535,
"energy_per_atom": -7.413452356666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.42578535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6665323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.347000Z",
"spacegroup": 148
}
]
}