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  1. Third-Parties
  2. MatprojStructure
  3. mp-642792

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-642792
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Ba', 'Bi', 'Mo', 'O']
  • Chemical System: Ba-Bi-Mo-O
  • Density: 5.7191238801582545
  • Atomic Density: 0.06628670848916206
  • Unit Cell Volume: 693.9551087760082
  • Molar Volume: 9.084989882978766
  • Full Formula: Ba2 Bi4 Mo8 O32
  • Reduced Formula: BaBi2(MoO4)4
  • Formula Anonymous: AB2C4D16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -360.89767682
  • Final energy per atom: -7.845601670000001
  • 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.