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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-760300
Created at: Sept. 4, 2022, 2:44 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 10
Number of elements: 4
Element list: ['Li', 'Co', 'O', 'F']
Chemical System: Co-F-Li-O
Density: 4.17662632486661
Atomic Density: 0.11047020416573353
Unit Cell Volume: 90.52214645134036
Molar Volume: 5.451371078273062
Full Formula: Li3 Co2 O2 F3
Reduced Formula: Li3Co2O2F3
Formula Anonymous: A2B2C3D3
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -58.048946990000005
Final energy per atom: -5.804894699
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.