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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222738

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-1222738
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'N', 'O']
  • Chemical System: La-N-O-Ti
  • Density: 6.1896065152964015
  • Atomic Density: 0.08006488263689507
  • Unit Cell Volume: 124.89870303502892
  • Molar Volume: 7.521575704183834
  • Full Formula: La2 Ti2 N2 O4
  • Reduced Formula: LaTiNO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 24
  • Spacegroup Symbol: I2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -92.57821392
  • Final energy per atom: -9.257821392
  • 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.