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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-39835
  • Created at: Sept. 4, 2022, 3:32 p.m.
  • Last updated at: Sept. 4, 2022, 3:32 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 112
  • Number of elements: 2
  • Element list: ['P', 'Se']
  • Chemical System: P-Se
  • Density: 2.761234853742727
  • Atomic Density: 0.032263820740957204
  • Unit Cell Volume: 3471.380556544624
  • Molar Volume: 18.66530566342756
  • Full Formula: P64 Se48
  • Reduced Formula: P4Se3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm