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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51158
  • 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: 3
  • Number of elements: 3
  • Element list: ['Tl', 'Cu', 'Ir']
  • Chemical System: Cu-Ir-Tl
  • Density: 12.827901775019813
  • Atomic Density: 0.050365349132212696
  • Unit Cell Volume: 59.56476132280514
  • Molar Volume: 11.956912567391212
  • Full Formula: Tl1 Cu1 Ir1
  • Reduced Formula: TlCuIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m