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  1. Third-Parties
  2. MatprojStructure
  3. mp-1519934

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-1519934
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ba', 'Gd', 'W', 'O']
  • Chemical System: Ba-Gd-O-W
  • Density: 7.4866851710192215
  • Atomic Density: 0.06334595021058681
  • Unit Cell Volume: 631.4531531538211
  • Molar Volume: 9.50674942909537
  • Full Formula: Ba8 Gd4 W4 O24
  • Reduced Formula: Ba2GdWO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 201
  • Spacegroup Symbol: Pn-31
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -364.21885671
  • Final energy per atom: -9.10547141775
  • 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.