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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1387901
  • Created at: Sept. 4, 2022, 3:49 p.m.
  • Last updated at: Sept. 4, 2022, 3:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ca', 'F', 'Sc']
  • Chemical System: Ca-F-Sc
  • Density: 3.1309213456066027
  • Atomic Density: 0.07331385255113462
  • Unit Cell Volume: 190.95981881780583
  • Molar Volume: 8.21419220303517
  • Full Formula: Ca2 Sc2 F10
  • Reduced Formula: CaScF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m