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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-64633
  • Created at: Sept. 4, 2022, 3:30 p.m.
  • Last updated at: Sept. 4, 2022, 3:30 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 2
  • Element list: ['Ba', 'P']
  • Chemical System: Ba-P
  • Density: 4.400900689266932
  • Atomic Density: 0.02888686456053907
  • Unit Cell Volume: 1938.5973816105627
  • Molar Volume: 20.847332694689722
  • Full Formula: Ba32 P24
  • Reduced Formula: Ba4P3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm