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-108756
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Li', 'Zn', 'Cu']
  • Chemical System: Cu-Li-Zn
  • Density: 5.304474586514844
  • Atomic Density: 0.07100598889828315
  • Unit Cell Volume: 84.49991462825855
  • Molar Volume: 8.481173001655936
  • Full Formula: Li2 Zn1 Cu3
  • Reduced Formula: Li2ZnCu3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m