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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40437
  • 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: 8
  • Number of elements: 2
  • Element list: ['Tc', 'Ir']
  • Chemical System: Ir-Tc
  • Density: 19.27052278285659
  • Atomic Density: 0.06880582746175645
  • Unit Cell Volume: 116.26922159240868
  • Molar Volume: 8.752370231063955
  • Full Formula: Tc2 Ir6
  • Reduced Formula: TcIr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm