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  1. Third-Parties
  2. MatprojStructure
  3. mp-532092

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-532092
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 77
  • Number of elements: 3
  • Element list: ['Ba', 'Bi', 'O']
  • Chemical System: Ba-Bi-O
  • Density: 7.384242357770976
  • Atomic Density: 0.0546904377112504
  • Unit Cell Volume: 1407.9243689095633
  • Molar Volume: 11.01132302468514
  • Full Formula: Ba16 Bi16 O45
  • Reduced Formula: Ba16Bi16O45
  • Formula Anonymous: A16B16C45
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -483.15234298
  • Final energy per atom: -6.274705752987013
  • 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.