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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-12620
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Al', 'Ca', 'F']
  • Chemical System: Al-Ca-F
  • Density: 3.067769290634063
  • Atomic Density: 0.07980285642783742
  • Unit Cell Volume: 175.43231692038052
  • Molar Volume: 7.546272188196151
  • Full Formula: Ca2 Al2 F10
  • Reduced Formula: CaAlF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m