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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102333
  • 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: 4
  • Element list: ['K', 'Fe', 'Se', 'S']
  • Chemical System: Fe-K-S-Se
  • Density: 3.4798471523515246
  • Atomic Density: 0.04069777607911127
  • Unit Cell Volume: 196.57093754825874
  • Molar Volume: 14.797223190509794
  • Full Formula: K2 Fe2 Se2 S2
  • Reduced Formula: KFeSeS
  • Formula Anonymous: ABCD
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2