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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116056
  • 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: 3
  • Number of elements: 3
  • Element list: ['Ti', 'N', 'F']
  • Chemical System: F-N-Ti
  • Density: 3.754836359337776
  • Atomic Density: 0.08388116124020491
  • Unit Cell Volume: 35.76488398162609
  • Molar Volume: 7.179372186747385
  • Full Formula: Ti1 N1 F1
  • Reduced Formula: TiNF
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2