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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1554628
  • Created at: Sept. 4, 2022, 3:57 p.m.
  • Last updated at: Sept. 4, 2022, 3:57 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ca', 'F', 'Yb']
  • Chemical System: Ca-F-Yb
  • Density: 6.6083638974365115
  • Atomic Density: 0.08259058958994059
  • Unit Cell Volume: 72.64750172858423
  • Molar Volume: 7.291558021197959
  • Full Formula: Ca1 Yb1 F4
  • Reduced Formula: CaYbF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm