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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50202
  • 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: 20
  • Number of elements: 3
  • Element list: ['Zr', 'N', 'O']
  • Chemical System: N-O-Zr
  • Density: 6.5883553196014555
  • Atomic Density: 0.08760015668328895
  • Unit Cell Volume: 228.31009392264363
  • Molar Volume: 6.874577612654902
  • Full Formula: Zr8 N8 O4
  • Reduced Formula: Zr2N2O
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm