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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121797
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ti', 'Si', 'Ir']
  • Chemical System: Ir-Si-Ti
  • Density: 10.071863262071313
  • Atomic Density: 0.06785355340629005
  • Unit Cell Volume: 176.85146020499488
  • Molar Volume: 8.875203224716815
  • Full Formula: Ti4 Si4 Ir4
  • Reduced Formula: TiSiIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm