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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-555080
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: 64
Number of elements: 6
Element list: ['P', 'H', 'C', 'N', 'O', 'F']
Chemical System: C-F-H-N-O-P
Density: 1.639544544518119
Atomic Density: 0.09932121289543697
Unit Cell Volume: 644.3739271224738
Molar Volume: 6.063297642508624
Full Formula: P4 H28 C4 N12 O12 F4
Reduced Formula: PH7CN3O3F
Formula Anonymous: ABCD3E3F7
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -397.56298428
Final energy per atom: -6.211921629375
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.