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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96258
  • 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: 28
  • Number of elements: 4
  • Element list: ['K', 'B', 'H', 'Br']
  • Chemical System: B-Br-H-K
  • Density: 1.8041107746271903
  • Atomic Density: 0.08973025416072006
  • Unit Cell Volume: 312.0463689966585
  • Molar Volume: 6.711382706231348
  • Full Formula: K3 B12 H12 Br1
  • Reduced Formula: K3B12H12Br
  • Formula Anonymous: AB3C12D12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m