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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-118323
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ta', 'O', 'F']
  • Chemical System: F-O-Ta
  • Density: 6.464246238374969
  • Atomic Density: 0.0671341685388181
  • Unit Cell Volume: 59.58217830145812
  • Molar Volume: 8.970306612969964
  • Full Formula: Ta1 O2 F1
  • Reduced Formula: TaO2F
  • Formula Anonymous: ABC2
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m