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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118326
  • 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: 5.539097722833033
  • Atomic Density: 0.07332846135210605
  • Unit Cell Volume: 81.82361786086591
  • Molar Volume: 8.212555737509744
  • Full Formula: Ta1 O1 F4
  • Reduced Formula: TaOF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m