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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8789
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ta', 'O', 'F']
  • Chemical System: F-O-Ta
  • Density: 6.2769549220900815
  • Atomic Density: 0.06518906212893487
  • Unit Cell Volume: 122.71997385354489
  • Molar Volume: 9.237961957619587
  • Full Formula: Ta2 O4 F2
  • Reduced Formula: TaO2F
  • Formula Anonymous: ABC2
  • Spacegroup Number: 131
  • Spacegroup Symbol: P4_2/mmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm