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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50338
  • 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: 16
  • Number of elements: 3
  • Element list: ['Zr', 'N', 'O']
  • Chemical System: N-O-Zr
  • Density: 4.996762812526516
  • Atomic Density: 0.06884213960681496
  • Unit Cell Volume: 232.41578619407255
  • Molar Volume: 8.747753620667309
  • Full Formula: Zr6 N4 O6
  • Reduced Formula: Zr3N2O3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm