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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18567
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'As']
  • Chemical System: As-Ti-Zr
  • Density: 6.638282398824924
  • Atomic Density: 0.056038762704863035
  • Unit Cell Volume: 107.06874510416914
  • Molar Volume: 10.746384233564457
  • Full Formula: Zr2 Ti2 As2
  • Reduced Formula: ZrTiAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm