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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102667
  • 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: 9.825599019208068
  • Atomic Density: 0.04794099309545568
  • Unit Cell Volume: 125.1538529469624
  • Molar Volume: 12.561568651715806
  • Full Formula: Th2 Si3 Ir1
  • Reduced Formula: Th2Si3Ir
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2