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-23852
  • 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: 14
  • Number of elements: 3
  • Element list: ['Cr', 'Cu', 'S']
  • Chemical System: Cr-Cu-S
  • Density: 4.387548012061288
  • Atomic Density: 0.06252810940132698
  • Unit Cell Volume: 223.89930119497404
  • Molar Volume: 9.63109362758407
  • Full Formula: Cr4 Cu2 S8
  • Reduced Formula: Cr2CuS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m