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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1206337
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 50
  • Number of elements: 3
  • Element list: ['Bi', 'K', 'Se']
  • Chemical System: Bi-K-Se
  • Density: 6.341446373142702
  • Atomic Density: 0.03204299147922423
  • Unit Cell Volume: 1560.4036231267169
  • Molar Volume: 18.79394052176616
  • Full Formula: K5 Bi17 Se28
  • Reduced Formula: K5Bi17Se28
  • Formula Anonymous: A5B17C28
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m