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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-571638
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: 14
Number of elements: 4
Element list: ['Rb', 'Cu', 'Br', 'Cl']
Chemical System: Br-Cl-Cu-Rb
Density: 3.4859814268918856
Atomic Density: 0.03158918440484033
Unit Cell Volume: 443.18966329041456
Molar Volume: 19.063932397942008
Full Formula: Rb4 Cu2 Br4 Cl4
Reduced Formula: Rb2Cu(BrCl)2
Formula Anonymous: AB2C2D2
Spacegroup Number: 64
Spacegroup Symbol: Cmce
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -48.20419229
Final energy per atom: -3.443156592142857
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.