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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62936
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['B', 'H', 'N']
  • Chemical System: B-H-N
  • Density: 1.1952273788794123
  • Atomic Density: 0.10729582140445051
  • Unit Cell Volume: 447.36131726010547
  • Molar Volume: 5.612651714832027
  • Full Formula: B12 H24 N12
  • Reduced Formula: BH2N
  • Formula Anonymous: ABC2
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422