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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1472709
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Ca', 'F']
  • Chemical System: Ca-F
  • Density: 3.4966388046484513
  • Atomic Density: 0.08091182820690819
  • Unit Cell Volume: 148.3095891655486
  • Molar Volume: 7.442843516772539
  • Full Formula: Ca4 F8
  • Reduced Formula: CaF2
  • Formula Anonymous: AB2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm