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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95994
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Ca', 'Be', 'P', 'O', 'F']
  • Chemical System: Be-Ca-F-O-P
  • Density: 3.018742160284039
  • Atomic Density: 0.0891907082067758
  • Unit Cell Volume: 358.78176822873314
  • Molar Volume: 6.751982219984771
  • Full Formula: Ca4 Be4 P4 O16 F4
  • Reduced Formula: CaBePO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m