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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55939
  • 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: 21
  • Number of elements: 3
  • Element list: ['K', 'Zr', 'O']
  • Chemical System: K-O-Zr
  • Density: 4.276889092300883
  • Atomic Density: 0.06723089584049728
  • Unit Cell Volume: 312.3563911720245
  • Molar Volume: 8.957400737731204
  • Full Formula: K4 Zr5 O12
  • Reduced Formula: K4Zr5O12
  • Formula Anonymous: A4B5C12
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1