Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-720505

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-720505
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Ti', 'Ga', 'O']
  • Chemical System: Ga-La-O-Sr-Ti
  • Density: 6.736592586116571
  • Atomic Density: 0.08196229062151307
  • Unit Cell Volume: 976.0586166317072
  • Molar Volume: 7.347452974208772
  • Full Formula: Sr2 La14 Ti2 Ga14 O48
  • Reduced Formula: SrLa7TiGa7O24
  • Formula Anonymous: ABC7D7E24
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -622.54596377
  • Final energy per atom: -7.781824547125
  • 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.