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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102629
  • 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: 6
  • Number of elements: 3
  • Element list: ['Th', 'Si', 'Ir']
  • Chemical System: Ir-Si-Th
  • Density: 11.816033357414234
  • Atomic Density: 0.04719308133309637
  • Unit Cell Volume: 127.13728009516974
  • Molar Volume: 12.76064327627764
  • Full Formula: Th2 Si2 Ir2
  • Reduced Formula: ThSiIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm