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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108730
  • 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: ['Ti', 'C', 'N']
  • Chemical System: C-N-Ti
  • Density: 5.119504592108078
  • Atomic Density: 0.10128960253695828
  • Unit Cell Volume: 39.49072658805716
  • Molar Volume: 5.945467855698868
  • Full Formula: Ti2 C1 N1
  • Reduced Formula: Ti2CN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m