Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1223323

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-1223323
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 31
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'Ga', 'O']
  • Chemical System: Ga-La-O-Ti
  • Density: 5.429344162574162
  • Atomic Density: 0.06141401646900882
  • Unit Cell Volume: 504.7707637822946
  • Molar Volume: 9.805808358160284
  • Full Formula: La8 Ti2 Ga2 O19
  • Reduced Formula: La8Ti2Ga2O19
  • Formula Anonymous: A2B2C8D19
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -266.67060684
  • Final energy per atom: -8.60227764
  • 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.