Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120491
  • 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: 20
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'Ni']
  • Chemical System: Al-Ni-Zr
  • Density: 7.010885364102888
  • Atomic Density: 0.05881320616810947
  • Unit Cell Volume: 340.05967882167056
  • Molar Volume: 10.239436263322455
  • Full Formula: Zr10 Al2 Ni8
  • Reduced Formula: Zr5AlNi4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2