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-92457
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Li', 'Cu', 'S']
  • Chemical System: Cu-Li-S
  • Density: 2.83631700490056
  • Atomic Density: 0.06033110191368735
  • Unit Cell Volume: 82.87599333347576
  • Molar Volume: 9.981817949580254
  • Full Formula: Li2 Cu1 S2
  • Reduced Formula: Li2CuS2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m