Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218241

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-1218241
  • 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: 14
  • Number of elements: 5
  • Element list: ['Sr', 'La', 'Mg', 'Al', 'O']
  • Chemical System: Al-La-Mg-O-Sr
  • Density: 6.049907577133729
  • Atomic Density: 0.07461292995566425
  • Unit Cell Volume: 187.6350387033312
  • Molar Volume: 8.07117581842506
  • Full Formula: Sr1 La3 Mg1 Al1 O8
  • Reduced Formula: SrLa3MgAlO8
  • Formula Anonymous: ABCD3E8
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -111.41336701
  • Final energy per atom: -7.958097643571429
  • 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.