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-98253
  • 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: 36
  • Number of elements: 2
  • Element list: ['Be', 'F']
  • Chemical System: Be-F
  • Density: 1.3144395684785515
  • Atomic Density: 0.05051633979403186
  • Unit Cell Volume: 712.6407049042207
  • Molar Volume: 11.921173989552331
  • Full Formula: Be12 F24
  • Reduced Formula: BeF2
  • Formula Anonymous: AB2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m