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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215097

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1215097
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 53
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'Bi', 'O']
  • Chemical System: Ba-Bi-Cu-O
  • Density: 6.996016870426915
  • Atomic Density: 0.056328376481428064
  • Unit Cell Volume: 940.9111945108971
  • Molar Volume: 10.691131426423324
  • Full Formula: Ba11 Cu5 Bi8 O29
  • Reduced Formula: Ba11Cu5Bi8O29
  • Formula Anonymous: A5B8C11D29
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -321.25634542
  • Final energy per atom: -6.061440479622641
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.