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-48114
  • 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: 12
  • Number of elements: 3
  • Element list: ['Co', 'O', 'F']
  • Chemical System: Co-F-O
  • Density: 5.274993325543087
  • Atomic Density: 0.10145772833528417
  • Unit Cell Volume: 118.27585928539595
  • Molar Volume: 5.935615609388396
  • Full Formula: Co4 O4 F4
  • Reduced Formula: CoOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422