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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182540

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-1182540
  • 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: 56
  • Number of elements: 3
  • Element list: ['Ba', 'Mo', 'O']
  • Chemical System: Ba-Mo-O
  • Density: 4.726571202437644
  • Atomic Density: 0.06810274437154452
  • Unit Cell Volume: 822.2869800148401
  • Molar Volume: 8.842728462079775
  • Full Formula: Ba4 Mo12 O40
  • Reduced Formula: BaMo3O10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -460.21988292
  • Final energy per atom: -8.218212195
  • 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.