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  1. Third-Parties
  2. MatprojStructure
  3. mp-694881

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-694881
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Na', 'Nd', 'Ti', 'Mn', 'O']
  • Chemical System: Mn-Na-Nd-O-Ti
  • Density: 5.836698196930429
  • Atomic Density: 0.08307123715227434
  • Unit Cell Volume: 481.51443714119375
  • Molar Volume: 7.249369296091102
  • Full Formula: Na2 Nd6 Ti6 Mn2 O24
  • Reduced Formula: NaNd3Ti3MnO12
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -350.55096521
  • Final energy per atom: -8.76377413025
  • 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.