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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-652820
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 48
  • Number of elements: 6
  • Element list: ['H', 'N', 'Na', 'O', 'P', 'Tl']
  • Chemical System: H-N-Na-O-P-Tl
  • Density: 3.50328983011686
  • Atomic Density: 0.09730574382081501
  • Unit Cell Volume: 493.2905100483097
  • Molar Volume: 6.1888851814231565
  • Full Formula: Na4 Tl2 P6 H14 N6 O16
  • Reduced Formula: Na2TlP3H7N3O8
  • Formula Anonymous: AB2C3D3E7F8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1