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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-44687
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Cl', 'N', 'P', 'S', 'Sb']
  • Chemical System: Cl-N-P-S-Sb
  • Density: 2.196613408393341
  • Atomic Density: 0.036725959266324826
  • Unit Cell Volume: 1851.5513647141497
  • Molar Volume: 16.397504327468685
  • Full Formula: Sb4 P8 S4 N12 Cl40
  • Reduced Formula: SbP2SN3Cl10
  • Formula Anonymous: ABC2D3E10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm