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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50047
  • 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: 16
  • Number of elements: 3
  • Element list: ['Zr', 'N', 'O']
  • Chemical System: N-O-Zr
  • Density: 4.99004500298405
  • Atomic Density: 0.06874958600766971
  • Unit Cell Volume: 232.7286741510711
  • Molar Volume: 8.759530216412022
  • Full Formula: Zr6 N4 O6
  • Reduced Formula: Zr3N2O3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m