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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18571
  • 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: 8
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Ni']
  • Chemical System: Al-Ni-Zr
  • Density: 4.797735941107623
  • Atomic Density: 0.06728637151222215
  • Unit Cell Volume: 118.89480470122912
  • Molar Volume: 8.950015619293895
  • Full Formula: Zr1 Al5 Ni2
  • Reduced Formula: ZrAl5Ni2
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm