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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-23074
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: 6
Number of elements: 3
Element list: ['Bi', 'O', 'F']
Chemical System: Bi-F-O
Density: 9.037539932181831
Atomic Density: 0.0669223769591169
Unit Cell Volume: 89.65611014781229
Molar Volume: 8.998695255069833
Full Formula: Bi2 O2 F2
Reduced Formula: BiOF
Formula Anonymous: ABC
Spacegroup Number: 129
Spacegroup Symbol: P4/nmm1
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -34.70165808
Final energy per atom: -5.7836096800000005
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.