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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102648
  • 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: ['Zr', 'C', 'N']
  • Chemical System: C-N-Zr
  • Density: 6.85322358828999
  • Atomic Density: 0.0791902677810265
  • Unit Cell Volume: 50.51125740678926
  • Molar Volume: 7.604647551706939
  • Full Formula: Zr2 C1 N1
  • Reduced Formula: Zr2CN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m