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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16326
  • 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: 6
  • Number of elements: 2
  • Element list: ['Zr', 'O']
  • Chemical System: O-Zr
  • Density: 5.751647986812043
  • Atomic Density: 0.05236233952753621
  • Unit Cell Volume: 114.58617117068903
  • Molar Volume: 11.500900865655723
  • Full Formula: Zr4 O2
  • Reduced Formula: Zr2O
  • Formula Anonymous: AB2
  • Spacegroup Number: 224
  • Spacegroup Symbol: Pn-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m