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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1673
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 128
  • Number of elements: 2
  • Element list: ['B', 'H']
  • Chemical System: B-H
  • Density: 1.0128440428817578
  • Atomic Density: 0.1222236475971066
  • Unit Cell Volume: 1047.2605139549946
  • Molar Volume: 4.927148615177282
  • Full Formula: B52 H76
  • Reduced Formula: B13H19
  • Formula Anonymous: A13B19
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m