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-4071
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ga', 'Cu', 'I']
  • Chemical System: Cu-Ga-I
  • Density: 4.950796205870421
  • Atomic Density: 0.027912312671586125
  • Unit Cell Volume: 214.9588989846698
  • Molar Volume: 21.57521245500504
  • Full Formula: Ga1 Cu1 I4
  • Reduced Formula: GaCuI4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4