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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8677
  • 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: 5
  • Number of elements: 3
  • Element list: ['Zn', 'B', 'Ir']
  • Chemical System: B-Ir-Zn
  • Density: 13.68194042654257
  • Atomic Density: 0.08738142931823951
  • Unit Cell Volume: 57.22039613005423
  • Molar Volume: 6.891785596762917
  • Full Formula: Zn1 B2 Ir2
  • Reduced Formula: Zn(BIr)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm