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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-651445
  • 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: 56
  • Number of elements: 4
  • Element list: ['Cl', 'Nb', 'O', 'Tl']
  • Chemical System: Cl-Nb-O-Tl
  • Density: 3.858672684581965
  • Atomic Density: 0.03574201371472253
  • Unit Cell Volume: 1566.7835742823015
  • Molar Volume: 16.848912901399885
  • Full Formula: Nb8 Tl8 Cl32 O8
  • Reduced Formula: NbTlCl4O
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm