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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30426
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Fe', 'S']
  • Chemical System: Fe-S
  • Density: 5.090763382774787
  • Atomic Density: 0.0725506028643575
  • Unit Cell Volume: 192.96876176445792
  • Molar Volume: 8.300607468774796
  • Full Formula: Fe6 S8
  • Reduced Formula: Fe3S4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m