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-31165
  • 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: 8
  • Number of elements: 3
  • Element list: ['Br', 'O', 'F']
  • Chemical System: Br-F-O
  • Density: 3.3504338315718076
  • Atomic Density: 0.061654999815201776
  • Unit Cell Volume: 129.75427822525927
  • Molar Volume: 9.767481596058929
  • Full Formula: Br2 O4 F2
  • Reduced Formula: BrO2F
  • Formula Anonymous: ABC2
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m