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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112498
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'Re', 'O']
  • Chemical System: Ba-Cu-O-Re
  • Density: 6.982638155516828
  • Atomic Density: 0.07521457374020604
  • Unit Cell Volume: 265.905914312308
  • Molar Volume: 8.006614224526087
  • Full Formula: Ba4 Cu3 Re1 O12
  • Reduced Formula: Ba4Cu3ReO12
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m