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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1750290
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Fe', 'Sb']
  • Chemical System: Ba-Fe-Sb
  • Density: 6.995875541504552
  • Atomic Density: 0.042768510045885805
  • Unit Cell Volume: 233.81688979277334
  • Molar Volume: 14.080782223974884
  • Full Formula: Ba2 Fe4 Sb4
  • Reduced Formula: Ba(FeSb)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm