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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221062

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-1221062
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Na', 'Nd', 'Ti', 'Mn', 'O']
  • Chemical System: Mn-Na-Nd-O-Ti
  • Density: 5.728489056433703
  • Atomic Density: 0.0815311425869986
  • Unit Cell Volume: 245.30503762606793
  • Molar Volume: 7.386307328606387
  • Full Formula: Na1 Nd3 Ti3 Mn1 O12
  • Reduced Formula: NaNd3Ti3MnO12
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -175.88603215
  • Final energy per atom: -8.7943016075
  • 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.