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-25629
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'F']
  • Chemical System: Ca-F-Mn
  • Density: 3.2421699223651324
  • Atomic Density: 0.07193043537741232
  • Unit Cell Volume: 194.63249355496458
  • Molar Volume: 8.37217337612707
  • Full Formula: Ca2 Mn2 F10
  • Reduced Formula: CaMnF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m