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  1. Third-Parties
  2. MatprojStructure
  3. mp-3249

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-3249
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['La', 'Ti', 'O']
  • Chemical System: La-O-Ti
  • Density: 6.194405343645809
  • Atomic Density: 0.07952822793912565
  • Unit Cell Volume: 238.90888169347144
  • Molar Volume: 7.572331128275117
  • Full Formula: La4 Ti3 O12
  • Reduced Formula: La4Ti3O12
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -174.56043021
  • Final energy per atom: -9.18739106368421
  • 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.