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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-645373
  • 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: 64
  • Number of elements: 3
  • Element list: ['K', 'S', 'Ta']
  • Chemical System: K-S-Ta
  • Density: 3.17855364472425
  • Atomic Density: 0.03681513111639207
  • Unit Cell Volume: 1738.4156475679035
  • Molar Volume: 16.35778707662573
  • Full Formula: K12 Ta8 S44
  • Reduced Formula: K3Ta2S11
  • Formula Anonymous: A2B3C11
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m