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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-23947
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: 36
Number of elements: 3
Element list: ['Cs', 'Mg', 'H']
Chemical System: Cs-H-Mg
Density: 3.113348525783669
Atomic Density: 0.039419892402321854
Unit Cell Volume: 913.2445018515468
Molar Volume: 15.276908162350265
Full Formula: Cs12 Mg4 H20
Reduced Formula: Cs3MgH5
Formula Anonymous: AB3C5
Spacegroup Number: 130
Spacegroup Symbol: P4/ncc1
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -95.66194957
Final energy per atom: -2.6572763769444445
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.