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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101092
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Nb', 'N']
  • Chemical System: N-Nb-Ti
  • Density: 6.7897484187896895
  • Atomic Density: 0.09690052909847381
  • Unit Cell Volume: 41.2794443664498
  • Molar Volume: 6.2147656117337435
  • Full Formula: Ti1 Nb1 N2
  • Reduced Formula: TiNbN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m