Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62846
  • 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: 18
  • Number of elements: 3
  • Element list: ['Mg', 'B', 'Ir']
  • Chemical System: B-Ir-Mg
  • Density: 9.792136632709566
  • Atomic Density: 0.07781926754634136
  • Unit Cell Volume: 231.30518401861087
  • Molar Volume: 7.738624314876541
  • Full Formula: Mg6 B6 Ir6
  • Reduced Formula: MgBIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 180
  • Spacegroup Symbol: P6_222
  • Crystal System: hexagonal
  • Pointgroup: 622