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{
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"F"
],
"chemical_system": "F-Li-V",
"density": 2.963619964171059,
"density_atomic": 0.07380641114237262,
"volume": 270.9791695659065,
"volume_molar": 8.159373510768983,
"formula_full": "Li2 V4 F14",
"formula_reduced": "LiV2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.7106460377499999,
"spacegroup": 13
},
{
"id": "jvasp-56266",
"created_at": "2022-09-04T14:37:35.990047Z",
"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"P",
"Cl"
],
"chemical_system": "Ba-Cl-P",
"density": 3.401677288989236,
"density_atomic": 0.0388773435140143,
"volume": 514.4384413196983,
"volume_molar": 15.490103529911119,
"formula_full": "Ba4 P14 Cl2",
"formula_reduced": "Ba2P7Cl",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.35994645075,
"spacegroup": 11
}
]
}