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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-644967
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['B', 'C', 'H', 'P']
  • Chemical System: B-C-H-P
  • Density: 0.9965913272146633
  • Atomic Density: 0.10419798362697383
  • Unit Cell Volume: 499.0499642119631
  • Molar Volume: 5.779517559148854
  • Full Formula: B4 P4 H36 C8
  • Reduced Formula: BPH9C2
  • Formula Anonymous: ABC2D9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m