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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49777
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 2
  • Element list: ['Zr', 'N']
  • Chemical System: N-Zr
  • Density: 6.285780893937313
  • Atomic Density: 0.08036941638860509
  • Unit Cell Volume: 87.09780802878234
  • Molar Volume: 7.493075140525505
  • Full Formula: Zr3 N4
  • Reduced Formula: Zr3N4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m