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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35723
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['K', 'Ti', 'S']
  • Chemical System: K-S-Ti
  • Density: 3.00994035517546
  • Atomic Density: 0.04798636226099705
  • Unit Cell Volume: 83.35701669245242
  • Molar Volume: 12.549692196390454
  • Full Formula: K1 Ti1 S2
  • Reduced Formula: KTiS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m