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-21950
  • 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: ['Hf', 'B', 'Ir']
  • Chemical System: B-Hf-Ir
  • Density: 14.851410088171852
  • Atomic Density: 0.0896181988052005
  • Unit Cell Volume: 178.53516599656908
  • Molar Volume: 6.719774376508154
  • Full Formula: Hf2 B8 Ir6
  • Reduced Formula: HfB4Ir3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m