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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50678
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Sb', 'O', 'F']
  • Chemical System: F-O-Sb
  • Density: 4.728533054806536
  • Atomic Density: 0.07310710568721351
  • Unit Cell Volume: 273.5712187207818
  • Molar Volume: 8.237421935106477
  • Full Formula: Sb4 O4 F12
  • Reduced Formula: SbOF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm