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"structure_string": "Os2\n1.0\n1.379258 -2.388944 0.000000\n1.379258 2.388944 0.000000\n0.000000 0.000000 4.356799\nOs\n2\ndirect\n0.333333 0.666667 0.750000 Os\n0.666667 0.333333 0.250000 Os\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 22.004378159978412,
"density_atomic": 0.06965960293405543,
"volume": 28.71104507864246,
"volume_molar": 8.645097741514508,
"formula_full": "Os2",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -22.45473251,
"energy_per_atom": -11.227366255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.45473251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.22e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.479000Z",
"spacegroup": 194
},
{
"id": "mp-570384",
"created_at": "2022-09-04T14:45:23.535245Z",
"structure_string": "Ba4\n1.0\n-4.172434 4.172434 3.775774\n4.172434 -4.172434 3.775774\n4.172434 4.172434 -3.775774\nBa\n4\ndirect\n0.174989 0.674989 0.849978 Ba\n0.825011 0.325011 0.150022 Ba\n0.674989 0.825011 0.500000 Ba\n0.325011 0.174989 0.500000 Ba\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.4691261065084897,
"density_atomic": 0.015213006717400479,
"volume": 262.9329017139552,
"volume_molar": 39.58547361391708,
"formula_full": "Ba4",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -7.15351697,
"energy_per_atom": -1.7883792425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.15351697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010564,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.455000Z",
"spacegroup": 140
}
]
}