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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-542013
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 42
Number of elements: 3
Element list: ['Rb', 'Zr', 'Se']
Chemical System: Rb-Se-Zr
Density: 4.163143354355218
Atomic Density: 0.03059249742505584
Unit Cell Volume: 1372.8856267092858
Molar Volume: 19.68502497958127
Full Formula: Rb8 Zr6 Se28
Reduced Formula: Rb4Zr3Se14
Formula Anonymous: A3B4C14
Spacegroup Number: 15
Spacegroup Symbol: C12/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -213.56035672
Final energy per atom: -5.0847703980952375
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.