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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1757972
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Co', 'Cs', 'F', 'Na']
  • Chemical System: Co-Cs-F-Na
  • Density: 4.792287162603685
  • Atomic Density: 0.07489778833587729
  • Unit Cell Volume: 240.3275236817333
  • Molar Volume: 8.040478756186841
  • Full Formula: Cs2 Na1 Co3 F12
  • Reduced Formula: Cs2NaCo3F12
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m