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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078123

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-1078123
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Ti', 'H']
  • Chemical System: H-Ti
  • Density: 4.097518908717332
  • Atomic Density: 0.0888113698072719
  • Unit Cell Volume: 78.81873700620298
  • Molar Volume: 6.780821839668219
  • Full Formula: Ti4 H3
  • Reduced Formula: Ti4H3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -44.18587567
  • Final energy per atom: -6.312267952857143
  • 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.