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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1473434
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ca', 'F']
  • Chemical System: Ca-F
  • Density: 3.1103863241161758
  • Atomic Density: 0.07197398930064983
  • Unit Cell Volume: 41.68172459453924
  • Molar Volume: 8.367107087595642
  • Full Formula: Ca1 F2
  • Reduced Formula: CaF2
  • Formula Anonymous: AB2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1