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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-555189
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: 108
Number of elements: 6
Element list: ['Rb', 'Li', 'C', 'S', 'O', 'F']
Chemical System: C-F-Li-O-Rb-S
Density: 2.30023118918238
Atomic Density: 0.059833970279129935
Unit Cell Volume: 1804.994712805651
Molar Volume: 10.064752066269817
Full Formula: Rb8 Li4 C12 S12 O36 F36
Reduced Formula: Rb2LiC3S3(OF)9
Formula Anonymous: AB2C3D3E9F9
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -639.88883846
Final energy per atom: -5.924896652407408
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.