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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215003

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-1215003
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Ba', 'Bi', 'Mo', 'O']
  • Chemical System: Ba-Bi-Mo-O
  • Density: 6.902801854706174
  • Atomic Density: 0.05891949304700074
  • Unit Cell Volume: 1765.1204146824216
  • Molar Volume: 10.220964995737608
  • Full Formula: Ba2 Bi24 Mo10 O68
  • Reduced Formula: BaBi12Mo5O34
  • Formula Anonymous: AB5C12D34
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -740.54333386
  • Final energy per atom: -7.120608979423077
  • 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.