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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-3039
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'O']
  • Chemical System: Ba-O-Sb
  • Density: 5.234109737247725
  • Atomic Density: 0.027279468921700318
  • Unit Cell Volume: 256.6032359387916
  • Molar Volume: 22.07572580421277
  • Full Formula: Ba4 Sb2 O1
  • Reduced Formula: Ba4Sb2O
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm