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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20203
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ti', 'As']
  • Chemical System: As-Ti
  • Density: 5.824275361064521
  • Atomic Density: 0.057130069178167035
  • Unit Cell Volume: 140.03133752649646
  • Molar Volume: 10.5411053174454
  • Full Formula: Ti4 As4
  • Reduced Formula: TiAs
  • Formula Anonymous: AB
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm