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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-45535
  • 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: 3
  • Element list: ['Cl', 'Cs', 'Hg']
  • Chemical System: Cl-Cs-Hg
  • Density: 3.7855178548978325
  • Atomic Density: 0.026237268012557234
  • Unit Cell Volume: 2134.3685620468655
  • Molar Volume: 22.952621275651822
  • Full Formula: Cs16 Hg8 Cl32
  • Reduced Formula: Cs2HgCl4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1