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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-15851
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ni', 'Sc', 'Te']
  • Chemical System: Ni-Sc-Te
  • Density: 4.955317240082128
  • Atomic Density: 0.046018038919924655
  • Unit Cell Volume: 195.5754789042787
  • Molar Volume: 13.086478479621965
  • Full Formula: Sc6 Ni1 Te2
  • Reduced Formula: Sc6NiTe2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m