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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1753314
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ga', 'Ni', 'S']
  • Chemical System: Ga-Ni-S
  • Density: 4.240647476961397
  • Atomic Density: 0.055486459231121235
  • Unit Cell Volume: 360.4483017503918
  • Molar Volume: 10.85335204921907
  • Full Formula: Ga6 Ni2 S12
  • Reduced Formula: Ga3NiS6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m