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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120732
  • 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: 12
  • Number of elements: 3
  • Element list: ['Y', 'Fe', 'S']
  • Chemical System: Fe-S-Y
  • Density: 4.09843442124458
  • Atomic Density: 0.04657419240536205
  • Unit Cell Volume: 257.653420923697
  • Molar Volume: 12.93020973415027
  • Full Formula: Y4 Fe1 S7
  • Reduced Formula: Y4FeS7
  • Formula Anonymous: AB4C7
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m