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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-43383
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 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: 5.760674840861152
  • Atomic Density: 0.07659514312464924
  • Unit Cell Volume: 261.11316180260206
  • Molar Volume: 7.8623010733196255
  • Full Formula: Zr8 N8 O4
  • Reduced Formula: Zr2N2O
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2