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-38438
  • 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: 4
  • Number of elements: 2
  • Element list: ['Li', 'Cu']
  • Chemical System: Cu-Li
  • Density: 2.355968639465933
  • Atomic Density: 0.06726629343911912
  • Unit Cell Volume: 59.46514659114212
  • Molar Volume: 8.952687077147301
  • Full Formula: Li3 Cu1
  • Reduced Formula: Li3Cu
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm