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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-21043
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['B', 'H', 'Mg']
  • Chemical System: B-H-Mg
  • Density: 0.8867190843295749
  • Atomic Density: 0.10078684620976144
  • Unit Cell Volume: 396.87718689748925
  • Molar Volume: 5.975125709823771
  • Full Formula: Mg4 B8 H28
  • Reduced Formula: MgB2H7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1