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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-103090
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Hf', 'Ti', 'N']
  • Chemical System: Hf-N-Ti
  • Density: 9.854154825906228
  • Atomic Density: 0.09331763043647896
  • Unit Cell Volume: 42.864354584343936
  • Molar Volume: 6.453379422336761
  • Full Formula: Hf1 Ti1 N2
  • Reduced Formula: HfTiN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m