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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1536119
  • Created at: Sept. 4, 2022, 3:55 p.m.
  • Last updated at: Sept. 4, 2022, 3:55 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ba', 'Ca', 'Sb']
  • Chemical System: Ba-Ca-Sb
  • Density: 7.190878577218983
  • Atomic Density: 0.057081578656397014
  • Unit Cell Volume: 175.18786682819467
  • Molar Volume: 10.55005993483523
  • Full Formula: Ba2 Ca6 Sb2
  • Reduced Formula: BaCa3Sb
  • Formula Anonymous: ABC3
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m