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-67722
  • 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: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Be', 'Fe']
  • Chemical System: Be-Fe-Zr
  • Density: 7.093975746887436
  • Atomic Density: 0.079206645810831
  • Unit Cell Volume: 75.75121933997536
  • Molar Volume: 7.603075093449432
  • Full Formula: Zr1 Be1 Fe4
  • Reduced Formula: ZrBeFe4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m