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"updated_at": "2021-11-28T01:35:01.568000Z",
"spacegroup": 227
},
{
"id": "mp-2364",
"created_at": "2022-09-04T14:47:04.471756Z",
"structure_string": "Pa1 O2\n1.0\n0.000000 2.728806 2.728806\n2.728806 0.000000 2.728806\n2.728806 2.728806 0.000000\nPa O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pa\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pa",
"O"
],
"chemical_system": "O-Pa",
"density": 10.747665217819227,
"density_atomic": 0.07381986984236907,
"volume": 40.639464772913264,
"volume_molar": 8.157885909118171,
"formula_full": "Pa1 O2",
"formula_reduced": "PaO2",
"formula_anonymous": "AB2",
"energy": -31.50805038,
"energy_per_atom": -10.50268346,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.13405038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0168254,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.670000Z",
"spacegroup": 225
},
{
"id": "mp-1219737",
"created_at": "2022-09-04T14:48:04.023935Z",
"structure_string": "Pu1 U4 C5\n1.0\n14.233628 -1.791152 0.000000\n14.233628 1.791152 0.000000\n14.008230 0.000000 3.094167\nPu U C\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Pu\n0.601459 0.601459 0.601459 U\n0.200373 0.200373 0.200373 U\n0.799627 0.799627 0.799627 U\n0.398541 0.398541 0.398541 U\n0.700609 0.700609 0.700609 C\n0.500000 0.500000 0.500000 C\n0.099188 0.099188 0.099188 C\n0.299391 0.299391 0.299391 C\n0.900812 0.900812 0.900812 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pu",
"U",
"C"
],
"chemical_system": "C-Pu-U",
"density": 13.221338312820775,
"density_atomic": 0.06338378952925308,
"volume": 157.7690459069944,
"volume_molar": 9.501074020228222,
"formula_full": "Pu1 U4 C5",
"formula_reduced": "PuU4C5",
"formula_anonymous": "AB4C5",
"energy": -105.0305219,
"energy_per_atom": -10.50305219,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.0305219,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.5137293,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.245000Z",
"spacegroup": 166
}
]
}