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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-644277
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 34
Number of elements: 5
Element list: ['Fe', 'Cu', 'H', 'O', 'F']
Chemical System: Cu-F-Fe-H-O
Density: 3.1330718494630756
Atomic Density: 0.08829986294245194
Unit Cell Volume: 385.05156029697315
Molar Volume: 6.820102046958822
Full Formula: Fe4 Cu2 H8 O4 F16
Reduced Formula: Fe2CuH4(OF4)2
Formula Anonymous: AB2C2D4E8
Spacegroup Number: 15
Spacegroup Symbol: C12/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -188.15928465
Final energy per atom: -5.534096607352941
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.