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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-1218140
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 20
Number of elements: 3
Element list: ['Ta', 'Al', 'Ni']
Chemical System: Al-Ni-Ta
Density: 8.556137792977243
Atomic Density: 0.08813369763857341
Unit Cell Volume: 226.92795759027152
Molar Volume: 6.832960514939628
Full Formula: Ta1 Al4 Ni15
Reduced Formula: TaAl4Ni15
Formula Anonymous: AB4C15
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -122.15951751999998
Final energy per atom: -6.107975875999999
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.