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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-654514
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['B', 'F', 'H', 'N']
  • Chemical System: B-F-H-N
  • Density: 1.5785073002566472
  • Atomic Density: 0.13986776680692056
  • Unit Cell Volume: 571.968809013984
  • Molar Volume: 4.30559584776471
  • Full Formula: B4 H48 N16 F12
  • Reduced Formula: BH12N4F3
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2