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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12949
  • 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: 12
  • Number of elements: 3
  • Element list: ['K', 'Ti', 'S']
  • Chemical System: K-S-Ti
  • Density: 2.3471186475258534
  • Atomic Density: 0.03815738661371797
  • Unit Cell Volume: 314.4869464326962
  • Molar Volume: 15.782372155002301
  • Full Formula: K4 Ti2 S6
  • Reduced Formula: K2TiS3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m