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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106345
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Nb', 'C', 'N']
  • Chemical System: C-N-Nb
  • Density: 7.717344812195109
  • Atomic Density: 0.08775886638343748
  • Unit Cell Volume: 45.57944017329411
  • Molar Volume: 6.862145112139398
  • Full Formula: Nb2 C1 N1
  • Reduced Formula: Nb2CN
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m