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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-38015
  • 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: 72
  • Number of elements: 3
  • Element list: ['Cs', 'Hg', 'I']
  • Chemical System: Cs-Hg-I
  • Density: 4.368985710769448
  • Atomic Density: 0.019191952768324378
  • Unit Cell Volume: 3751.5723839646685
  • Molar Volume: 31.378468010505554
  • Full Formula: Cs24 Hg8 I40
  • Reduced Formula: Cs3HgI5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm