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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-85835
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Cu', 'S']
  • Chemical System: Cu-S
  • Density: 4.2899306772078
  • Atomic Density: 0.06070342052785655
  • Unit Cell Volume: 197.68243528374566
  • Molar Volume: 9.92059542548589
  • Full Formula: Cu4 S8
  • Reduced Formula: CuS2
  • Formula Anonymous: AB2
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3