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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-64545
  • 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: 72
  • Number of elements: 3
  • Element list: ['Fe', 'K', 'Se']
  • Chemical System: Fe-K-Se
  • Density: 2.947569128756216
  • Atomic Density: 0.031438929238539325
  • Unit Cell Volume: 2290.154332347267
  • Molar Volume: 19.15504409933203
  • Full Formula: K36 Fe8 Se28
  • Reduced Formula: K9Fe2Se7
  • Formula Anonymous: A2B7C9
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23