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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49878
  • 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: 4.982723945054584
  • Atomic Density: 0.0686487212456309
  • Unit Cell Volume: 233.0706196660336
  • Molar Volume: 8.77240049155799
  • Full Formula: Zr6 N4 O6
  • Reduced Formula: Zr3N2O3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2