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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-649044
  • 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: 48
  • Number of elements: 3
  • Element list: ['K', 'P', 'Se']
  • Chemical System: K-P-Se
  • Density: 2.959507019989814
  • Atomic Density: 0.03090168914907113
  • Unit Cell Volume: 1553.3131463605712
  • Molar Volume: 19.4880633577955
  • Full Formula: K16 P8 Se24
  • Reduced Formula: K2PSe3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m