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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-23956
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: 7
Number of elements: 3
Element list: ['K', 'Mg', 'H']
Chemical System: H-K-Mg
Density: 1.5846926742491134
Atomic Density: 0.06270589460688042
Unit Cell Volume: 111.6322483537604
Molar Volume: 9.603787327737479
Full Formula: K2 Mg1 H4
Reduced Formula: K2MgH4
Formula Anonymous: AB2C4
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -19.82483366
Final energy per atom: -2.8321190942857144
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.