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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109623
  • 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: 10
  • Number of elements: 4
  • Element list: ['K', 'Ba', 'I', 'O']
  • Chemical System: Ba-I-K-O
  • Density: 5.443175063935061
  • Atomic Density: 0.06108147358500995
  • Unit Cell Volume: 163.7157621301086
  • Molar Volume: 9.859193641781914
  • Full Formula: K1 Ba2 I1 O6
  • Reduced Formula: KBa2IO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m