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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-21045
  • 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: 0.5746192141495278
  • Atomic Density: 0.070502776624959
  • Unit Cell Volume: 312.0444477957153
  • Molar Volume: 8.541707218192133
  • Full Formula: Mg2 B4 H16
  • Reduced Formula: Mg(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2