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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10969
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['K', 'Th', 'Cu', 'S']
  • Chemical System: Cu-K-S-Th
  • Density: 4.83811916029676
  • Atomic Density: 0.04057187122622847
  • Unit Cell Volume: 295.77142087157097
  • Molar Volume: 14.843142743948352
  • Full Formula: K2 Th2 Cu2 S6
  • Reduced Formula: KThCuS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm