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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34477
  • 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: 9
  • Number of elements: 4
  • Element list: ['K', 'Th', 'Cu', 'S']
  • Chemical System: Cu-K-S-Th
  • Density: 4.521051113187562
  • Atomic Density: 0.04332451118377006
  • Unit Cell Volume: 207.73459997793398
  • Molar Volume: 13.900077797660126
  • Full Formula: K2 Th1 Cu2 S4
  • Reduced Formula: K2Th(CuS2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m