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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-570774
Created at: Sept. 4, 2022, 2:44 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 18
Number of elements: 2
Element list: ['Zr', 'Al']
Chemical System: Al-Zr
Density: 5.198679018286301
Atomic Density: 0.049954172939039955
Unit Cell Volume: 360.3302575335548
Molar Volume: 12.055330727522877
Full Formula: Zr10 Al8
Reduced Formula: Zr5Al4
Formula Anonymous: A4B5
Spacegroup Number: 193
Spacegroup Symbol: P6_3/mcm
Crystal System: hexagonal
Pointgroup: 6/mmm

Thermodynamics:

Final energy: -122.97385745
Final energy per atom: -6.831880969444445
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.