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"density_atomic": 0.050068184041507764,
"volume": 479.34632460612926,
"volume_molar": 12.027879331528174,
"formula_full": "Sr8 B4 N8 Cl4",
"formula_reduced": "Sr2BN2Cl",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.2656142951388887,
"spacegroup": 62
},
{
"id": "jvasp-56828",
"created_at": "2022-09-04T14:37:28.830263Z",
"updated_at": "2022-09-04T14:37:28.830288Z",
"structure_string": "K4 Mn4 Cl12\n1.0\n3.855680 0.000000 0.000000\n0.000000 8.708818 0.000000\n0.000000 0.000000 14.276347\nK Mn Cl\n4 4 12\ndirect\n0.750000 0.068710 0.675320 K\n0.250000 0.431290 0.175320 K\n0.250000 0.931290 0.324680 K\n0.750000 0.568710 0.824680 K\n0.250000 0.666622 0.556129 Mn\n0.250000 0.166621 0.943871 Mn\n0.750000 0.833379 0.056129 Mn\n0.750000 0.333379 0.443871 Mn\n0.250000 0.284810 0.791370 Cl\n0.750000 0.828878 0.493218 Cl\n0.750000 0.715190 0.208630 Cl\n0.250000 0.522326 0.398649 Cl\n0.750000 0.477674 0.601351 Cl\n0.250000 0.171123 0.506782 Cl\n0.750000 0.215190 0.291370 Cl\n0.750000 0.977674 0.898649 Cl\n0.750000 0.328878 0.006782 Cl\n0.250000 0.022326 0.101351 Cl\n0.250000 0.784810 0.708630 Cl\n0.250000 0.671123 0.993218 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Mn",
"Cl"
],
"chemical_system": "Cl-K-Mn",
"density": 2.7766390372793253,
"density_atomic": 0.041720807257238215,
"volume": 479.3771097641013,
"volume_molar": 14.434382160606942,
"formula_full": "K4 Mn4 Cl12",
"formula_reduced": "KMnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4854098064568966,
"spacegroup": 62
},
{
"id": "jvasp-100894",
"created_at": "2022-09-04T14:36:41.694232Z",
"updated_at": "2022-09-04T14:36:41.694248Z",
"structure_string": "K2 Rb1 As1 I6\n1.0\n7.607888 -0.000000 4.392416\n2.535963 7.172785 4.392416\n-0.000000 -0.000000 8.784832\nK Rb As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.769440 0.230560 0.230560 I\n0.230560 0.230560 0.769440 I\n0.230559 0.769441 0.769441 I\n0.230559 0.769441 0.230560 I\n0.769440 0.230560 0.769441 I\n0.769440 0.769441 0.230560 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"As",
"I"
],
"chemical_system": "As-I-K-Rb",
"density": 3.4639313852317235,
"density_atomic": 0.020860014966664217,
"volume": 479.38604147603485,
"volume_molar": 28.8693022014788,
"formula_full": "K2 Rb1 As1 I6",
"formula_reduced": "K2RbAsI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}