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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1493296
  • Created at: Sept. 4, 2022, 3:53 p.m.
  • Last updated at: Sept. 4, 2022, 3:53 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 6
  • Element list: ['Hf', 'K', 'Pd', 'S', 'Se', 'Te']
  • Chemical System: Hf-K-Pd-S-Se-Te
  • Density: 6.082741131831249
  • Atomic Density: 0.039063940916957925
  • Unit Cell Volume: 307.1886685859367
  • Molar Volume: 15.416111684179176
  • Full Formula: K2 Hf2 Te2 Pd2 Se2 S2
  • Reduced Formula: KHfTePdSeS
  • Formula Anonymous: ABCDEF
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m