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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15275
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Tl', 'Fe', 'S']
  • Chemical System: Fe-S-Tl
  • Density: 6.104094578818024
  • Atomic Density: 0.04533223509766629
  • Unit Cell Volume: 176.47486347770752
  • Molar Volume: 13.284455855806723
  • Full Formula: Tl2 Fe2 S4
  • Reduced Formula: TlFeS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m