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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102163
  • 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: ['Zr', 'Nb', 'N']
  • Chemical System: N-Nb-Zr
  • Density: 7.589112763240931
  • Atomic Density: 0.08617307624016754
  • Unit Cell Volume: 46.41821058879055
  • Molar Volume: 6.98842494982548
  • Full Formula: Zr1 Nb1 N2
  • Reduced Formula: ZrNbN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m