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-16463
  • 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', 'Be']
  • Chemical System: Be-Zr
  • Density: 3.6178712163434397
  • Atomic Density: 0.09591962774412154
  • Unit Cell Volume: 62.55236953176887
  • Molar Volume: 6.278319569864124
  • Full Formula: Zr1 Be5
  • Reduced Formula: ZrBe5
  • Formula Anonymous: AB5
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm