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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-602268
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 32
Number of elements: 3
Element list: ['Zr', 'In', 'Ni']
Chemical System: In-Ni-Zr
Density: 7.709313175024438
Atomic Density: 0.0455591569401902
Unit Cell Volume: 702.3834976140893
Molar Volume: 13.218288406666156
Full Formula: Zr8 In20 Ni4
Reduced Formula: Zr2In5Ni
Formula Anonymous: AB2C5
Spacegroup Number: 136
Spacegroup Symbol: P4_2/mnm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -155.33608353
Final energy per atom: -4.8542526103125
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.