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  1. Third-Parties
  2. MatprojStructure
  3. mp-744094

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-744094
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Ba', 'La', 'Mg', 'Ti', 'W', 'O']
  • Chemical System: Ba-La-Mg-O-Ti-W
  • Density: 5.688036566586414
  • Atomic Density: 0.0714844464158151
  • Unit Cell Volume: 1119.1245650088847
  • Molar Volume: 8.424407073071592
  • Full Formula: Ba4 La12 Mg8 Ti6 W2 O48
  • Reduced Formula: Ba2La6Mg4Ti3WO24
  • Formula Anonymous: AB2C3D4E6F24
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -665.7773138
  • Final energy per atom: -8.3222164225
  • 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.