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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201679

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-1201679
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ba', 'La', 'W', 'O']
  • Chemical System: Ba-La-O-W
  • Density: 7.087455200767508
  • Atomic Density: 0.06603593847272396
  • Unit Cell Volume: 666.3038493527904
  • Molar Volume: 9.119489931209861
  • Full Formula: Ba4 La8 W4 O28
  • Reduced Formula: BaLa2WO7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -382.31466246
  • Final energy per atom: -8.688969601363636
  • 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.