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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1350815
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['F', 'Na', 'Ni', 'Tl']
  • Chemical System: F-Na-Ni-Tl
  • Density: 6.182594050334533
  • Atomic Density: 0.07247285312151447
  • Unit Cell Volume: 1103.8616054740503
  • Molar Volume: 8.309512459655396
  • Full Formula: Na12 Tl12 Ni8 F48
  • Reduced Formula: Na3Tl3Ni2F12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m