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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-651548
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['As', 'Br', 'Cu', 'Hg']
  • Chemical System: As-Br-Cu-Hg
  • Density: 6.857647390511182
  • Atomic Density: 0.03523458228278388
  • Unit Cell Volume: 1532.585218879838
  • Molar Volume: 17.091562805166287
  • Full Formula: Cu6 Hg18 As12 Br18
  • Reduced Formula: CuHg3As2Br3
  • Formula Anonymous: AB2C3D3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m