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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-646987
  • Created at: Sept. 4, 2022, 3:18 p.m.
  • Last updated at: Sept. 4, 2022, 3:18 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 2
  • Element list: ['Ba', 'Sb']
  • Chemical System: Ba-Sb
  • Density: 5.157692353225097
  • Atomic Density: 0.023817764221584232
  • Unit Cell Volume: 1511.4768819222727
  • Molar Volume: 25.28424038450507
  • Full Formula: Ba20 Sb16
  • Reduced Formula: Ba5Sb4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm