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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118325
  • 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: 3
  • Element list: ['Ta', 'O', 'F']
  • Chemical System: F-O-Ta
  • Density: 10.117685681960591
  • Atomic Density: 0.0846464626572254
  • Unit Cell Volume: 70.8830565583929
  • Molar Volume: 7.1144624015613855
  • Full Formula: Ta2 O2 F2
  • Reduced Formula: TaOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm