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"created_at": "2022-09-04T14:38:12.064087Z",
"updated_at": "2022-09-04T14:38:12.064110Z",
"structure_string": "Mn2 Ag8 Sb4 S12\n1.0\n6.666200 0.000000 -0.273105\n0.000000 7.980418 0.000000\n0.061037 0.000000 10.563819\nMn Ag Sb S\n2 8 4 12\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.737698 0.466626 0.974230 Ag\n0.427841 0.807156 0.676273 Ag\n0.072160 0.307156 0.823727 Ag\n0.572160 0.192845 0.323727 Ag\n0.927840 0.692845 0.176274 Ag\n0.237698 0.033374 0.474229 Ag\n0.262302 0.533374 0.025771 Ag\n0.762302 0.966626 0.525771 Ag\n0.532074 0.357097 0.691096 Sb\n0.032074 0.142903 0.191095 Sb\n0.467926 0.642903 0.308905 Sb\n0.967926 0.857097 0.808905 Sb\n0.848133 0.241051 0.606671 S\n0.348132 0.258950 0.106671 S\n0.151868 0.758950 0.393330 S\n0.329018 0.329048 0.484939 S\n0.170982 0.829048 0.015062 S\n0.670983 0.670952 0.515062 S\n0.829018 0.170952 0.984939 S\n0.124470 0.596514 0.719034 S\n0.375531 0.096514 0.780966 S\n0.875531 0.403486 0.280966 S\n0.651868 0.741051 0.893330 S\n0.624469 0.903486 0.219034 S\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mn",
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-Mn-S-Sb",
"density": 5.449208127150259,
"density_atomic": 0.04625360917506738,
"volume": 562.1182965764125,
"volume_molar": 13.019828868286854,
"formula_full": "Mn2 Ag8 Sb4 S12",
"formula_reduced": "MnAg4(SbS3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 1.656912960106101,
"spacegroup": 14
},
{
"id": "jvasp-10459",
"created_at": "2022-09-04T14:36:30.911597Z",
"updated_at": "2022-09-04T14:36:30.911610Z",
"structure_string": "Rb6 Te6\n1.0\n4.965727 -8.600893 0.000000\n4.965727 8.600893 -0.000000\n0.000000 0.000000 6.578679\nRb Te\n6 6\ndirect\n0.000000 0.346023 0.000000 Rb\n0.653977 0.653977 0.000000 Rb\n0.346023 0.000000 0.000000 Rb\n0.000000 0.679697 0.500000 Rb\n0.320303 0.320303 0.500000 Rb\n0.679697 0.000000 0.500000 Rb\n0.000000 0.000000 0.784403 Te\n0.000000 0.000000 0.215598 Te\n0.333333 0.666667 0.717088 Te\n0.333333 0.666667 0.282912 Te\n0.666667 0.333333 0.282912 Te\n0.666667 0.333333 0.717088 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Rb",
"Te"
],
"chemical_system": "Rb-Te",
"density": 3.7776619632374686,
"density_atomic": 0.021354340819378398,
"volume": 561.9466365878349,
"volume_molar": 28.201014542837566,
"formula_full": "Rb6 Te6",
"formula_reduced": "RbTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0286544416666666,
"spacegroup": 189
}
]
}