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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-980420
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 32
Number of elements: 2
Element list: ['Ti', 'Si']
Chemical System: Si-Ti
Density: 4.355363316245567
Atomic Density: 0.0611081499370894
Unit Cell Volume: 523.6617379669303
Molar Volume: 9.854889677072158
Full Formula: Ti24 Si8
Reduced Formula: Ti3Si
Formula Anonymous: AB3
Spacegroup Number: 86
Spacegroup Symbol: P4_2/n
Crystal System: tetragonal
Pointgroup: 4/m

Thermodynamics:

Final energy: -248.18542851
Final energy per atom: -7.7557946409375
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.