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"structure_string": "Ag6 Ru2\n1.0\n2.908733 -5.038073 0.000000\n2.908733 5.038073 0.000000\n0.000000 0.000000 4.701229\nAg Ru\n6 2\ndirect\n0.168351 0.336702 0.250000 Ag\n0.663298 0.831649 0.250000 Ag\n0.168351 0.831649 0.250000 Ag\n0.831649 0.663298 0.750000 Ag\n0.336702 0.168351 0.750000 Ag\n0.831649 0.168351 0.750000 Ag\n0.333333 0.666667 0.750000 Ru\n0.666667 0.333333 0.250000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Ru"
],
"chemical_system": "Ag-Ru",
"density": 10.235891254320787,
"density_atomic": 0.058060433055214404,
"volume": 137.7874669379773,
"volume_molar": 10.372194010804321,
"formula_full": "Ag6 Ru2",
"formula_reduced": "Ag3Ru",
"formula_anonymous": "AB3",
"energy": -31.34866767,
"energy_per_atom": -3.91858345875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.34866767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3120908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.817000Z",
"spacegroup": 194
},
{
"id": "mp-1183254",
"created_at": "2022-09-04T14:39:10.569697Z",
"structure_string": "Ag6 S2\n1.0\n2.987769 -5.174967 0.000000\n2.987769 5.174967 0.000000\n0.000000 0.000000 4.671398\nAg S\n6 2\ndirect\n0.164942 0.329884 0.250000 Ag\n0.670116 0.835058 0.250000 Ag\n0.164942 0.835058 0.250000 Ag\n0.835058 0.670116 0.750000 Ag\n0.329884 0.164942 0.750000 Ag\n0.835058 0.164942 0.750000 Ag\n0.333333 0.666667 0.750000 S\n0.666667 0.333333 0.250000 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 8.177007044993303,
"density_atomic": 0.055380710004429595,
"volume": 144.45463049065503,
"volume_molar": 10.874076478106405,
"formula_full": "Ag6 S2",
"formula_reduced": "Ag3S",
"formula_anonymous": "AB3",
"energy": -25.43343909,
"energy_per_atom": -3.17917988625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.42743909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002907,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.417000Z",
"spacegroup": 194
}
]
}