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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-640045
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 34
Number of elements: 2
Element list: ['Ti', 'Bi']
Chemical System: Bi-Ti
Density: 9.434745446074752
Atomic Density: 0.04266774648780384
Unit Cell Volume: 796.854832952534
Molar Volume: 14.114035203901313
Full Formula: Ti16 Bi18
Reduced Formula: Ti8Bi9
Formula Anonymous: A8B9
Spacegroup Number: 129
Spacegroup Symbol: P4/nmm1
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -202.51665265000003
Final energy per atom: -5.956372136764706
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.