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-39854
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Zn', 'Cu']
  • Chemical System: Cu-Ti-Zn
  • Density: 7.410474116770621
  • Atomic Density: 0.07426432510975083
  • Unit Cell Volume: 53.86166230001603
  • Molar Volume: 8.109062798457048
  • Full Formula: Ti1 Zn1 Cu2
  • Reduced Formula: TiZnCu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m