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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-1079768
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: 8
Number of elements: 3
Element list: ['Ti', 'H', 'Pd']
Chemical System: H-Pd-Ti
Density: 6.7451738081895245
Atomic Density: 0.07997636986065419
Unit Cell Volume: 100.02954640150206
Molar Volume: 7.529900107359961
Full Formula: Ti4 H2 Pd2
Reduced Formula: Ti2HPd
Formula Anonymous: ABC2
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -52.40108037
Final energy per atom: -6.55013504625
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.