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  1. Third-Parties
  2. MatprojStructure
  3. mp-1060435

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-1060435
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 2
  • Number of elements: 2
  • Element list: ['Ti', 'H']
  • Chemical System: H-Ti
  • Density: 4.417224462168489
  • Atomic Density: 0.10885393409746068
  • Unit Cell Volume: 18.37324499644938
  • Molar Volume: 5.532313379329193
  • Full Formula: Ti1 H1
  • Reduced Formula: TiH
  • Formula Anonymous: AB
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -12.10314702
  • Final energy per atom: -6.05157351
  • 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.