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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-90121
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 2
  • Element list: ['Ti', 'H']
  • Chemical System: H-Ti
  • Density: 3.982596050372961
  • Atomic Density: 0.1098449506684413
  • Unit Cell Volume: 81.93367055319476
  • Molar Volume: 5.482401078386732
  • Full Formula: Ti4 H5
  • Reduced Formula: Ti4H5
  • Formula Anonymous: A4B5
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m