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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-70978
  • 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: ['Sc', 'Be', 'Ir']
  • Chemical System: Be-Ir-Sc
  • Density: 7.137994671293217
  • Atomic Density: 0.05905867986114293
  • Unit Cell Volume: 67.72924842554363
  • Molar Volume: 10.196876689690804
  • Full Formula: Sc2 Be1 Ir1
  • Reduced Formula: Sc2BeIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm