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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-4664
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Cu', 'S']
  • Chemical System: Cu-S
  • Density: 5.331389101305675
  • Atomic Density: 0.06716042218047705
  • Unit Cell Volume: 178.67666120014798
  • Molar Volume: 8.966800035617679
  • Full Formula: Cu6 S6
  • Reduced Formula: CuS
  • Formula Anonymous: AB
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm