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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-70841
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Be', 'Tl', 'Ir']
  • Chemical System: Be-Ir-Tl
  • Density: 12.838483793459188
  • Atomic Density: 0.07458809211205869
  • Unit Cell Volume: 53.627863198197
  • Molar Volume: 8.073863520939154
  • Full Formula: Be2 Tl1 Ir1
  • Reduced Formula: Be2TlIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm