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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-17164
  • 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: 9
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Ni']
  • Chemical System: Al-Ni-Zr
  • Density: 5.986545653664129
  • Atomic Density: 0.04916153800697781
  • Unit Cell Volume: 183.06994379880004
  • Molar Volume: 12.249699672018478
  • Full Formula: Zr6 Al2 Ni1
  • Reduced Formula: Zr6Al2Ni
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m