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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95358
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Fe', 'S']
  • Chemical System: Fe-S
  • Density: 5.611209760177712
  • Atomic Density: 0.0768774770136586
  • Unit Cell Volume: 312.18506293769224
  • Molar Volume: 7.833426634084342
  • Full Formula: Fe12 S12
  • Reduced Formula: FeS
  • Formula Anonymous: AB
  • Spacegroup Number: 190
  • Spacegroup Symbol: P-62c
  • Crystal System: hexagonal
  • Pointgroup: -62m