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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1270116
  • Created at: Sept. 4, 2022, 3:41 p.m.
  • Last updated at: Sept. 4, 2022, 3:41 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['N', 'O', 'Zr']
  • Chemical System: N-O-Zr
  • Density: 5.833983282887042
  • Atomic Density: 0.08312199665177562
  • Unit Cell Volume: 264.6712168400498
  • Molar Volume: 7.244942376960283
  • Full Formula: Zr8 N12 O2
  • Reduced Formula: Zr4N6O
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm