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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50123
  • 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: 15
  • Number of elements: 3
  • Element list: ['Zr', 'N', 'O']
  • Chemical System: N-O-Zr
  • Density: 6.103376758141805
  • Atomic Density: 0.08115177982578951
  • Unit Cell Volume: 184.83882956357658
  • Molar Volume: 7.420836330303384
  • Full Formula: Zr6 N6 O3
  • Reduced Formula: Zr2N2O
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m