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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59898
  • 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: 14
  • Number of elements: 3
  • Element list: ['Al', 'Fe', 'S']
  • Chemical System: Al-Fe-S
  • Density: 3.8477978281833036
  • Atomic Density: 0.06076609076176406
  • Unit Cell Volume: 230.3916514045238
  • Molar Volume: 9.910363962049242
  • Full Formula: Al2 Fe4 S8
  • Reduced Formula: Al(FeS2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2