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-49970
  • 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: 3
  • Element list: ['Li', 'Cu', 'O']
  • Chemical System: Cu-Li-O
  • Density: 4.435701213519387
  • Atomic Density: 0.10425802242397601
  • Unit Cell Volume: 38.36635212332713
  • Molar Volume: 5.776189323360022
  • Full Formula: Li1 Cu1 O2
  • Reduced Formula: LiCuO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1