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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101101
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ti', 'C', 'N']
  • Chemical System: C-N-Ti
  • Density: 5.262148833385557
  • Atomic Density: 0.1030977103861562
  • Unit Cell Volume: 96.99536451919872
  • Molar Volume: 5.841197382021245
  • Full Formula: Ti5 C1 N4
  • Reduced Formula: Ti5CN4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m