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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2619
  • 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: 7
  • Number of elements: 3
  • Element list: ['Tl', 'As', 'Se']
  • Chemical System: As-Se-Tl
  • Density: 7.36653459112764
  • Atomic Density: 0.03357323682977675
  • Unit Cell Volume: 208.49940789121547
  • Molar Volume: 17.937325467107918
  • Full Formula: Tl3 As1 Se3
  • Reduced Formula: Tl3AsSe3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m