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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-94916
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Ti', 'H']
  • Chemical System: H-Ti
  • Density: 4.138524644747758
  • Atomic Density: 0.08970014559280148
  • Unit Cell Volume: 78.03777746110767
  • Molar Volume: 6.713635435262082
  • Full Formula: Ti4 H3
  • Reduced Formula: Ti4H3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m