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-42809
  • 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: 24
  • Number of elements: 3
  • Element list: ['Co', 'O', 'F']
  • Chemical System: Co-F-O
  • Density: 5.309441249111211
  • Atomic Density: 0.10212028994539381
  • Unit Cell Volume: 235.0169590473488
  • Molar Volume: 5.897105034876209
  • Full Formula: Co8 O8 F8
  • Reduced Formula: CoOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2