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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21571
  • 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: 16
  • Number of elements: 3
  • Element list: ['Sc', 'B', 'Ir']
  • Chemical System: B-Ir-Sc
  • Density: 12.55810970828613
  • Atomic Density: 0.09099989547004676
  • Unit Cell Volume: 175.8243777902636
  • Molar Volume: 6.617744700577408
  • Full Formula: Sc2 B8 Ir6
  • Reduced Formula: ScB4Ir3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m