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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50727
  • 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: 14
  • Number of elements: 3
  • Element list: ['Y', 'Zr', 'O']
  • Chemical System: O-Y-Zr
  • Density: 5.715486955387627
  • Atomic Density: 0.08060812966831078
  • Unit Cell Volume: 173.6797523724679
  • Molar Volume: 7.470885113921041
  • Full Formula: Y1 Zr4 O9
  • Reduced Formula: YZr4O9
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1