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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-686196
  • Created at: Sept. 4, 2022, 3:36 p.m.
  • Last updated at: Sept. 4, 2022, 3:36 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['C', 'H', 'I', 'N', 'Sb']
  • Chemical System: C-H-I-N-Sb
  • Density: 3.36642584838013
  • Atomic Density: 0.0530812354174066
  • Unit Cell Volume: 1544.8020257100168
  • Molar Volume: 11.34514054287666
  • Full Formula: Sb4 H36 C6 I18 N18
  • Reduced Formula: Sb2H18C3(IN)9
  • Formula Anonymous: A2B3C9D9E18
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm