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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223172

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-1223172
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'Cu', 'O']
  • Chemical System: Cu-La-O-Ti
  • Density: 5.434972072227832
  • Atomic Density: 0.08119716171579726
  • Unit Cell Volume: 197.05122275089488
  • Molar Volume: 7.416688752100021
  • Full Formula: La2 Ti3 Cu1 O10
  • Reduced Formula: La2Ti3CuO10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -140.05066236000002
  • Final energy per atom: -8.753166397500001
  • 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.