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-31809
  • 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: 26
  • Number of elements: 5
  • Element list: ['Co', 'Si', 'H', 'O', 'F']
  • Chemical System: Co-F-H-O-Si
  • Density: 2.1759530144707826
  • Atomic Density: 0.11022335929192598
  • Unit Cell Volume: 235.88466335107006
  • Molar Volume: 5.463579407020605
  • Full Formula: Co1 Si1 H12 O6 F6
  • Reduced Formula: CoSiH12(OF)6
  • Formula Anonymous: ABC6D6E12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3