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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-55869
  • Created at: Sept. 4, 2022, 3:27 p.m.
  • Last updated at: Sept. 4, 2022, 3:27 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 42
  • Number of elements: 7
  • Element list: ['Ag', 'C', 'Ca', 'H', 'N', 'O', 'S']
  • Chemical System: Ag-C-Ca-H-N-O-S
  • Density: 2.6316569656079825
  • Atomic Density: 0.0634926621338612
  • Unit Cell Volume: 661.4937630344062
  • Molar Volume: 9.484782268703045
  • Full Formula: Ca2 Ag4 H8 C8 S8 N8 O4
  • Reduced Formula: CaAg2H4C4S4(N2O)2
  • Formula Anonymous: AB2C2D4E4F4G4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m