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-50800
  • 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: 24
  • Number of elements: 3
  • Element list: ['Li', 'Cu', 'S']
  • Chemical System: Cu-Li-S
  • Density: 2.899226306135925
  • Atomic Density: 0.07054410703107376
  • Unit Cell Volume: 340.21268409320584
  • Molar Volume: 8.536702799777911
  • Full Formula: Li12 Cu4 S8
  • Reduced Formula: Li3CuS2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm