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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-38892
  • 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: 4
  • Number of elements: 2
  • Element list: ['Zr', 'Tl']
  • Chemical System: Tl-Zr
  • Density: 8.864058175814105
  • Atomic Density: 0.04466479594141395
  • Unit Cell Volume: 89.55598958174424
  • Molar Volume: 13.482969379058934
  • Full Formula: Zr3 Tl1
  • Reduced Formula: Zr3Tl
  • Formula Anonymous: AB3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m