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  1. Third-Parties
  2. MatprojStructure
  3. mp-754453

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-754453
  • 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: 20
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'N', 'O']
  • Chemical System: La-N-O-Ti
  • Density: 6.173897617911432
  • Atomic Density: 0.07986168215518846
  • Unit Cell Volume: 250.4329918963601
  • Molar Volume: 7.540713640739099
  • Full Formula: La4 Ti4 N4 O8
  • Reduced Formula: LaTiNO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -184.44986291
  • Final energy per atom: -9.2224931455
  • 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.