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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-21041
  • Created at: Sept. 4, 2022, 2:53 p.m.
  • Last updated at: Sept. 4, 2022, 2:53 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 43
  • Number of elements: 3
  • Element list: ['B', 'H', 'Mg']
  • Chemical System: B-H-Mg
  • Density: 0.5798076844322174
  • Atomic Density: 0.06984856867387917
  • Unit Cell Volume: 615.6174824535873
  • Molar Volume: 8.62170961314496
  • Full Formula: Mg4 B8 H31
  • Reduced Formula: Mg4B8H31
  • Formula Anonymous: A4B8C31
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1