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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-504476
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 32
Number of elements: 4
Element list: ['Cu', 'P', 'O', 'F']
Chemical System: Cu-F-O-P
Density: 4.475984924990749
Atomic Density: 0.08945428984105824
Unit Cell Volume: 357.7245994223125
Molar Volume: 6.732087159486814
Full Formula: Cu8 P4 O16 F4
Reduced Formula: Cu2PO4F
Formula Anonymous: ABC2D4
Spacegroup Number: 15
Spacegroup Symbol: C12/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -200.75967231
Final energy per atom: -6.2737397596875
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.