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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-766429
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 37
Number of elements: 6
Element list: ['Si', 'H', 'C', 'N', 'O', 'F']
Chemical System: C-F-H-N-O-Si
Density: 1.593695511846722
Atomic Density: 0.10816750961037133
Unit Cell Volume: 342.06204925376557
Molar Volume: 5.567421106108728
Full Formula: Si1 H18 C2 N8 O2 F6
Reduced Formula: SiH18C2N8(OF3)2
Formula Anonymous: AB2C2D6E8F18
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -213.97919161
Final energy per atom: -5.7832213948648645
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.