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-16597
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Zn', 'Ni']
  • Chemical System: Ni-Zn-Zr
  • Density: 8.358421073926129
  • Atomic Density: 0.07716107228022484
  • Unit Cell Volume: 77.7594170569569
  • Molar Volume: 7.804635915542324
  • Full Formula: Zr1 Zn1 Ni4
  • Reduced Formula: ZrZnNi4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m