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-102499
  • 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: 8
  • Number of elements: 2
  • Element list: ['Hf', 'Bi']
  • Chemical System: Bi-Hf
  • Density: 13.714710261434007
  • Atomic Density: 0.044377390733090605
  • Unit Cell Volume: 180.27197786630325
  • Molar Volume: 13.570290322431033
  • Full Formula: Hf6 Bi2
  • Reduced Formula: Hf3Bi
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm