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-24657
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['As', 'F']
  • Chemical System: As-F
  • Density: 3.5958623479135103
  • Atomic Density: 0.06566195554869662
  • Unit Cell Volume: 243.67230409599944
  • Molar Volume: 9.171430716122707
  • Full Formula: As4 F12
  • Reduced Formula: AsF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2