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  1. Third-Parties
  2. MatprojStructure
  3. mp-22621

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-22621
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'Ag', 'O']
  • Chemical System: Ag-La-O-Ti
  • Density: 6.231575611977413
  • Atomic Density: 0.07324705713480008
  • Unit Cell Volume: 191.1339587914792
  • Molar Volume: 8.221682884702338
  • Full Formula: La2 Ti2 Ag2 O8
  • Reduced Formula: LaTiAgO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -112.24042489
  • Final energy per atom: -8.017173206428572
  • 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.