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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-28855
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 22
Number of elements: 3
Element list: ['Cd', 'O', 'F']
Chemical System: Cd-F-O
Density: 5.962699754940562
Atomic Density: 0.06814481429917668
Unit Cell Volume: 322.84188057822325
Molar Volume: 8.837269309387139
Full Formula: Cd8 O2 F12
Reduced Formula: Cd4OF6
Formula Anonymous: AB4C6
Spacegroup Number: 137
Spacegroup Symbol: P4_2/nmc
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -90.77467479
Final energy per atom: -4.126121581363637
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.