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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32555
  • 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: 32
  • Number of elements: 4
  • Element list: ['B', 'H', 'C', 'O']
  • Chemical System: B-C-H-O
  • Density: 1.3031354049928248
  • Atomic Density: 0.12083466694051254
  • Unit Cell Volume: 264.8246634035392
  • Molar Volume: 4.9837856241741685
  • Full Formula: B2 H18 C6 O6
  • Reduced Formula: BH9(CO)3
  • Formula Anonymous: AB3C3D9
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m