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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-23561
  • 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: 152
  • Number of elements: 4
  • Element list: ['B', 'H', 'Mg', 'N']
  • Chemical System: B-H-Mg-N
  • Density: 0.9161976667341835
  • Atomic Density: 0.11905746472215518
  • Unit Cell Volume: 1276.6944126915764
  • Molar Volume: 5.058179908377766
  • Full Formula: Mg8 B16 H112 N16
  • Reduced Formula: MgB2(H7N)2
  • Formula Anonymous: AB2C2D14
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm