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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13114
  • 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', 'Pt', 'S']
  • Chemical System: K-Pt-S
  • Density: 6.3140269341465824
  • Atomic Density: 0.0434178033354718
  • Unit Cell Volume: 276.3843188307076
  • Molar Volume: 13.870210598793665
  • Full Formula: K2 Pt4 S6
  • Reduced Formula: KPt2S3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m