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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91702
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ta', 'N', 'F']
  • Chemical System: F-N-Ta
  • Density: 4.770339023237363
  • Atomic Density: 0.07438904181695256
  • Unit Cell Volume: 107.54272140895992
  • Molar Volume: 8.095467575477777
  • Full Formula: Ta1 N1 F6
  • Reduced Formula: TaNF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3