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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-24060
  • Created at: Sept. 4, 2022, 2:52 p.m.
  • Last updated at: Sept. 4, 2022, 2:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['B', 'H', 'Mg']
  • Chemical System: B-H-Mg
  • Density: 1.0010983974696697
  • Atomic Density: 0.1228295451290672
  • Unit Cell Volume: 179.11000139976724
  • Molar Volume: 4.90284381796907
  • Full Formula: Mg2 B4 H16
  • Reduced Formula: Mg(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 102
  • Spacegroup Symbol: P4_2nm
  • Crystal System: tetragonal
  • Pointgroup: 4mm