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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99869
  • 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: 10
  • Number of elements: 3
  • Element list: ['Mo', 'S', 'I']
  • Chemical System: I-Mo-S
  • Density: 4.859630877771579
  • Atomic Density: 0.03535500163126963
  • Unit Cell Volume: 282.84541192484426
  • Molar Volume: 17.03334883931595
  • Full Formula: Mo2 S4 I4
  • Reduced Formula: Mo(SI)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m