Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218165

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-1218165
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 5
  • Element list: ['Sr', 'Li', 'La', 'Ti', 'O']
  • Chemical System: La-Li-O-Sr-Ti
  • Density: 4.813031311356778
  • Atomic Density: 0.08343944143533923
  • Unit Cell Volume: 179.7710979599994
  • Molar Volume: 7.217379043299101
  • Full Formula: Sr1 Li1 La1 Ti3 O9
  • Reduced Formula: SrLiLaTi3O9
  • Formula Anonymous: ABCD3E9
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -128.44732355
  • Final energy per atom: -8.563154903333333
  • 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.