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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1748466
  • 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: 14
  • Number of elements: 4
  • Element list: ['As', 'Ni', 'O', 'Tl']
  • Chemical System: As-Ni-O-Tl
  • Density: 6.390791359640711
  • Atomic Density: 0.06701653326363209
  • Unit Cell Volume: 208.90367373863234
  • Molar Volume: 8.98605234667971
  • Full Formula: Tl2 Ni2 As2 O8
  • Reduced Formula: TlNiAsO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3