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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110958
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 4
  • Element list: ['Y', 'Bi', 'O', 'F']
  • Chemical System: Bi-F-O-Y
  • Density: 7.164793403977174
  • Atomic Density: 0.07037160489328372
  • Unit Cell Volume: 85.26166213061089
  • Molar Volume: 8.55762884636834
  • Full Formula: Y1 Bi1 O2 F2
  • Reduced Formula: YBi(OF)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2