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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71093
  • 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: 4
  • Number of elements: 3
  • Element list: ['Be', 'Nb', 'Ir']
  • Chemical System: Be-Ir-Nb
  • Density: 10.733804389578665
  • Atomic Density: 0.06680462650912077
  • Unit Cell Volume: 59.87609255556401
  • Molar Volume: 9.014556438209864
  • Full Formula: Be1 Nb2 Ir1
  • Reduced Formula: BeNb2Ir
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm