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-70589
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Zr', 'Be', 'Cr']
  • Chemical System: Be-Cr-Zr
  • Density: 4.969694040601078
  • Atomic Density: 0.07424303771936105
  • Unit Cell Volume: 53.87710582533024
  • Molar Volume: 8.111387875538867
  • Full Formula: Zr1 Be2 Cr1
  • Reduced Formula: ZrBe2Cr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm