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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58503
  • 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: 13
  • Number of elements: 3
  • Element list: ['Zn', 'Fe', 'S']
  • Chemical System: Fe-S-Zn
  • Density: 4.051956246495067
  • Atomic Density: 0.05817231357201756
  • Unit Cell Volume: 223.47400682123373
  • Molar Volume: 10.35224557906669
  • Full Formula: Zn1 Fe4 S8
  • Reduced Formula: Zn(FeS2)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m