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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-688371
  • 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: 88
  • Number of elements: 7
  • Element list: ['Bi', 'C', 'Cl', 'Ga', 'H', 'N', 'Si']
  • Chemical System: Bi-C-Cl-Ga-H-N-Si
  • Density: 1.6119051090233747
  • Atomic Density: 0.09328910992608246
  • Unit Cell Volume: 943.3041013010707
  • Molar Volume: 6.455352360818575
  • Full Formula: Ga1 Si6 Bi1 H54 C18 N4 Cl4
  • Reduced Formula: GaSi6BiH54C18(NCl)4
  • Formula Anonymous: ABC4D4E6F18G54
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1