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-93121
  • 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: 8
  • Number of elements: 3
  • Element list: ['Li', 'Hf', 'Mg']
  • Chemical System: Hf-Li-Mg
  • Density: 3.1260868629642604
  • Atomic Density: 0.04546441657367062
  • Unit Cell Volume: 175.9617873251884
  • Molar Volume: 13.245833145668355
  • Full Formula: Li1 Hf1 Mg6
  • Reduced Formula: LiHfMg6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2