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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-80616
  • 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: ['Al', 'Tc', 'Ir']
  • Chemical System: Al-Ir-Tc
  • Density: 9.811623567177127
  • Atomic Density: 0.06866984133048265
  • Unit Cell Volume: 58.24973412636085
  • Molar Volume: 8.769702453538017
  • Full Formula: Al2 Tc1 Ir1
  • Reduced Formula: Al2TcIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m