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-9697
  • 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: 16
  • Number of elements: 3
  • Element list: ['Sm', 'Cu', 'S']
  • Chemical System: Cu-S-Sm
  • Density: 5.933275907232208
  • Atomic Density: 0.05140488669613565
  • Unit Cell Volume: 311.2544551372933
  • Molar Volume: 11.715113381336783
  • Full Formula: Sm4 Cu4 S8
  • Reduced Formula: SmCuS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m