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  1. Third-Parties
  2. MatprojStructure
  3. mp-557475

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-557475
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['Ba', 'Bi', 'Mo', 'W', 'O']
  • Chemical System: Ba-Bi-Mo-O-W
  • Density: 7.055797488591342
  • Atomic Density: 0.0588162247723303
  • Unit Cell Volume: 1768.2195755094792
  • Molar Volume: 10.238910748370705
  • Full Formula: Ba2 Bi24 Mo8 W2 O68
  • Reduced Formula: BaBi12Mo4WO34
  • Formula Anonymous: ABC4D12E34
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -745.6676972
  • Final energy per atom: -7.169881703846154
  • 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.