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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-70513
  • 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: 60
  • Number of elements: 7
  • Element list: ['C', 'Cl', 'N', 'O', 'P', 'S', 'Sb']
  • Chemical System: C-Cl-N-O-P-S-Sb
  • Density: 2.236196796848611
  • Atomic Density: 0.044954970634212756
  • Unit Cell Volume: 1334.668873175446
  • Molar Volume: 13.395939703755205
  • Full Formula: Sb4 P4 C12 S12 N12 Cl12 O4
  • Reduced Formula: SbPC3S3N3Cl3O
  • Formula Anonymous: ABCD3E3F3G3
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m