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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52341
  • 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: 12
  • Number of elements: 3
  • Element list: ['Sb', 'O', 'F']
  • Chemical System: F-O-Sb
  • Density: 5.23935232549964
  • Atomic Density: 0.060383821211196786
  • Unit Cell Volume: 198.72872831331975
  • Molar Volume: 9.973103124655076
  • Full Formula: Sb4 O4 F4
  • Reduced Formula: SbOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2