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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-94937
  • 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: 7
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'S']
  • Chemical System: Cr-Fe-S
  • Density: 4.891205310010736
  • Atomic Density: 0.07156913989857001
  • Unit Cell Volume: 97.80751885408452
  • Molar Volume: 8.41443779893787
  • Full Formula: Cr2 Fe1 S4
  • Reduced Formula: Cr2FeS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m