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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-569568
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 12
Number of elements: 3
Element list: ['Ta', 'Al', 'C']
Chemical System: Al-C-Ta
Density: 12.251033480448246
Atomic Density: 0.07454192792437311
Unit Cell Volume: 160.98322560391327
Molar Volume: 8.078863704880014
Full Formula: Ta6 Al2 C4
Reduced Formula: Ta3AlC2
Formula Anonymous: AB2C3
Spacegroup Number: 194
Spacegroup Symbol: P6_3/mmc
Crystal System: hexagonal
Pointgroup: 6/mmm

Thermodynamics:

Final energy: -122.3720134
Final energy per atom: -10.197667783333333
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.