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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10297
  • 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: 11
  • Number of elements: 4
  • Element list: ['K', 'Zr', 'B', 'O']
  • Chemical System: B-K-O-Zr
  • Density: 3.350773420060139
  • Atomic Density: 0.07732995208729947
  • Unit Cell Volume: 142.24759880339587
  • Molar Volume: 7.787591479691433
  • Full Formula: K2 Zr1 B2 O6
  • Reduced Formula: K2Zr(BO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m