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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110974
  • 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: ['Ti', 'C', 'N']
  • Chemical System: C-N-Ti
  • Density: 4.99731600553167
  • Atomic Density: 0.09968925237024445
  • Unit Cell Volume: 80.24937302456753
  • Molar Volume: 6.0409127531961575
  • Full Formula: Ti4 C3 N1
  • Reduced Formula: Ti4C3N
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m