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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93816
  • 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: 6
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'S', 'O']
  • Chemical System: Li-O-S-Ti
  • Density: 2.675905396946221
  • Atomic Density: 0.06405864825445899
  • Unit Cell Volume: 93.66416812553257
  • Molar Volume: 9.400980077004375
  • Full Formula: Li1 Ti1 S2 O2
  • Reduced Formula: LiTi(SO)2
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m