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-42619
  • 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: 18
  • Number of elements: 3
  • Element list: ['Co', 'O', 'F']
  • Chemical System: Co-F-O
  • Density: 5.341281815111333
  • Atomic Density: 0.1032822971972815
  • Unit Cell Volume: 174.2796247610358
  • Molar Volume: 5.830757955060772
  • Full Formula: Co6 O7 F5
  • Reduced Formula: Co6O7F5
  • Formula Anonymous: A5B6C7
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m