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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-36800
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: 8
Number of elements: 3
Element list: ['Mg', 'Ta', 'N']
Chemical System: Mg-N-Ta
Density: 9.345597068687436
Atomic Density: 0.09650859276073415
Unit Cell Volume: 82.89417316273324
Molar Volume: 6.240004737122424
Full Formula: Mg2 Ta2 N4
Reduced Formula: MgTaN2
Formula Anonymous: ABC2
Spacegroup Number: 141
Spacegroup Symbol: I4_1/amd
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -70.45842035
Final energy per atom: -8.80730254375
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.