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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55721
  • 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: 28
  • Number of elements: 4
  • Element list: ['K', 'B', 'H', 'I']
  • Chemical System: B-H-I-K
  • Density: 1.9575482184794692
  • Atomic Density: 0.08550748135312572
  • Unit Cell Volume: 327.45672725836243
  • Molar Volume: 7.0428232298528135
  • Full Formula: K3 B12 H12 I1
  • Reduced Formula: K3B12H12I
  • Formula Anonymous: AB3C12D12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m