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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-15885
  • 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: 6
  • Number of elements: 3
  • Element list: ['Th', 'B', 'Ir']
  • Chemical System: B-Ir-Th
  • Density: 16.142018662093268
  • Atomic Density: 0.07024560788141211
  • Unit Cell Volume: 85.41459289709809
  • Molar Volume: 8.572978356407015
  • Full Formula: Th1 B2 Ir3
  • Reduced Formula: ThB2Ir3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm