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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36969
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Tl', 'Ag', 'Br']
  • Chemical System: Ag-Br-Tl
  • Density: 6.124155568107286
  • Atomic Density: 0.03340848342329245
  • Unit Cell Volume: 299.3251705950825
  • Molar Volume: 18.025783103345997
  • Full Formula: Tl2 Ag2 Br6
  • Reduced Formula: TlAgBr3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m