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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-653279
  • 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: 59
  • Number of elements: 3
  • Element list: ['Bi', 'Br', 'Pt']
  • Chemical System: Bi-Br-Pt
  • Density: 6.190178836079176
  • Atomic Density: 0.028782793964383154
  • Unit Cell Volume: 2049.8357481559533
  • Molar Volume: 20.922710864872982
  • Full Formula: Bi20 Pt3 Br36
  • Reduced Formula: Bi20(PtBr12)3
  • Formula Anonymous: A3B20C36
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m