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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-689492
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Ba', 'N', 'P', 'Sr']
  • Chemical System: Ba-N-P-Sr
  • Density: 4.335443938050375
  • Atomic Density: 0.08226406246395318
  • Unit Cell Volume: 1021.1020156803888
  • Molar Volume: 7.3205000818417005
  • Full Formula: Ba4 Sr8 P24 N48
  • Reduced Formula: BaSr2(PN2)6
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3