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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-81483
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Hf', 'Tc', 'Ir']
  • Chemical System: Hf-Ir-Tc
  • Density: 12.500460934184916
  • Atomic Density: 0.04652650450268321
  • Unit Cell Volume: 85.97250196969595
  • Molar Volume: 12.943462708772156
  • Full Formula: Hf2 Tc1 Ir1
  • Reduced Formula: Hf2TcIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm