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"structure_string": "Pu20 Ir16\n1.0\n6.835498 0.000000 0.000000\n0.000000 7.525338 0.000000\n0.000000 0.000000 14.137057\nPu Ir\n20 16\ndirect\n0.699403 0.029250 0.250000 Pu\n0.199403 0.470750 0.250000 Pu\n0.800597 0.529250 0.750000 Pu\n0.300597 0.970750 0.750000 Pu\n0.855235 0.665025 0.117675 Pu\n0.355235 0.834975 0.382325 Pu\n0.644765 0.165025 0.882325 Pu\n0.144765 0.334975 0.617675 Pu\n0.144765 0.334975 0.882325 Pu\n0.644765 0.165025 0.617675 Pu\n0.355235 0.834975 0.117675 Pu\n0.855235 0.665025 0.382325 Pu\n0.000675 0.169789 0.095282 Pu\n0.500675 0.330211 0.404718 Pu\n0.499325 0.669789 0.904718 Pu\n0.999325 0.830211 0.595282 Pu\n0.999325 0.830211 0.904718 Pu\n0.499325 0.669789 0.595282 Pu\n0.500675 0.330211 0.095282 Pu\n0.000675 0.169789 0.404718 Pu\n0.042006 0.870729 0.250000 Ir\n0.542006 0.629271 0.250000 Ir\n0.457994 0.370729 0.750000 Ir\n0.957994 0.129271 0.750000 Ir\n0.830299 0.369278 0.250000 Ir\n0.330299 0.130722 0.250000 Ir\n0.669701 0.869278 0.750000 Ir\n0.169701 0.630722 0.750000 Ir\n0.803833 0.457641 0.966868 Ir\n0.303833 0.042359 0.533132 Ir\n0.696167 0.957641 0.033132 Ir\n0.196167 0.542359 0.466868 Ir\n0.196167 0.542359 0.033132 Ir\n0.696167 0.957641 0.466868 Ir\n0.303833 0.042359 0.966868 Ir\n0.803833 0.457641 0.533132 Ir\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Pu",
"Ir"
],
"chemical_system": "Ir-Pu",
"density": 18.16602336208773,
"density_atomic": 0.049504801121226676,
"volume": 727.2021942244288,
"volume_molar": 12.16476104055658,
"formula_full": "Pu20 Ir16",
"formula_reduced": "Pu5Ir4",
"formula_anonymous": "A4B5",
"energy": -413.0593744,
"energy_per_atom": -11.473871511111112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -413.0593744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7983195,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.778000Z",
"spacegroup": 62
},
{
"id": "mp-1208157",
"created_at": "2022-09-04T14:46:17.700351Z",
"structure_string": "U10 Sn8\n1.0\n4.677064 -8.100912 0.000000\n4.677064 8.100912 0.000000\n0.000000 0.000000 6.189824\nU Sn\n10 8\ndirect\n0.333333 0.666667 0.000000 U\n0.666667 0.333333 0.000000 U\n0.666667 0.333333 0.500000 U\n0.333333 0.666667 0.500000 U\n0.289164 0.000000 0.250000 U\n0.710836 0.000000 0.750000 U\n0.000000 0.289164 0.250000 U\n0.000000 0.710836 0.750000 U\n0.710836 0.710836 0.250000 U\n0.289164 0.289164 0.750000 U\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.626229 0.000000 0.250000 Sn\n0.373771 0.000000 0.750000 Sn\n0.000000 0.626229 0.250000 Sn\n0.000000 0.373771 0.750000 Sn\n0.373771 0.373771 0.250000 Sn\n0.626229 0.626229 0.750000 Sn\n",
"nsites": 18,
"nelements": 2,
"elements": [
"U",
"Sn"
],
"chemical_system": "Sn-U",
"density": 11.788913403578022,
"density_atomic": 0.038375759314702676,
"volume": 469.0460937173891,
"volume_molar": 15.692564440523714,
"formula_full": "U10 Sn8",
"formula_reduced": "U5Sn4",
"formula_anonymous": "A4B5",
"energy": -143.09730642,
"energy_per_atom": -7.9498503566666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.09730642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 29.6384129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.045000Z",
"spacegroup": 193
}
]
}