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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-17048
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 28
Number of elements: 3
Element list: ['Rb', 'W', 'S']
Chemical System: Rb-S-W
Density: 3.5066665184576733
Atomic Density: 0.030603018837287225
Unit Cell Volume: 914.9424162652979
Molar Volume: 19.67825720730049
Full Formula: Rb8 W4 S16
Reduced Formula: Rb2WS4
Formula Anonymous: AB2C4
Spacegroup Number: 62
Spacegroup Symbol: Pnma
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -161.77537917
Final energy per atom: -5.777692113214286
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.