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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-758667
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 14
Number of elements: 4
Element list: ['Li', 'Ni', 'O', 'F']
Chemical System: F-Li-Ni-O
Density: 5.994217819777992
Atomic Density: 0.1065969997563341
Unit Cell Volume: 131.33577898066596
Molar Volume: 5.649446770327285
Full Formula: Li1 Ni6 O6 F1
Reduced Formula: LiNi6O6F
Formula Anonymous: ABC6D6
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -88.34330758
Final energy per atom: -6.310236255714286
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.