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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-111375
  • 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: 54
  • Number of elements: 7
  • Element list: ['C', 'Cd', 'H', 'N', 'O', 'Re', 'S']
  • Chemical System: C-Cd-H-N-O-Re-S
  • Density: 3.879974930144556
  • Atomic Density: 0.08246069676716658
  • Unit Cell Volume: 654.857430473486
  • Molar Volume: 7.303043748228234
  • Full Formula: Cd2 Re4 H16 C4 S4 N8 O16
  • Reduced Formula: CdRe2H8C2S2(NO2)4
  • Formula Anonymous: AB2C2D2E4F8G8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m