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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1499801
  • Created at: Sept. 4, 2022, 3:53 p.m.
  • Last updated at: Sept. 4, 2022, 3:53 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 6
  • Element list: ['Br', 'C', 'Cl', 'I', 'Sc', 'Sm']
  • Chemical System: Br-C-Cl-I-Sc-Sm
  • Density: 4.436044595292433
  • Atomic Density: 0.03513857108355111
  • Unit Cell Volume: 284.5875541217198
  • Molar Volume: 17.138263094651144
  • Full Formula: Sm2 Sc2 C1 I1 Br2 Cl2
  • Reduced Formula: Sm2Sc2CI(BrCl)2
  • Formula Anonymous: ABC2D2E2F2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m