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-19697
  • 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: 2
  • Element list: ['Zr', 'Zn']
  • Chemical System: Zn-Zr
  • Density: 7.278265972334258
  • Atomic Density: 0.059219528993517616
  • Unit Cell Volume: 101.31792842622544
  • Molar Volume: 10.169180441572248
  • Full Formula: Zr2 Zn4
  • Reduced Formula: ZrZn2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m