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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112376
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Ba', 'Sc', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Sc
  • Density: 5.46674775033548
  • Atomic Density: 0.06148104650487227
  • Unit Cell Volume: 276.507980368434
  • Molar Volume: 9.795117523776623
  • Full Formula: Ba4 Sc2 Cu2 O9
  • Reduced Formula: Ba4Sc2Cu2O9
  • Formula Anonymous: A2B2C4D9
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm