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  1. Third-Parties
  2. MatprojStructure
  3. mp-694979

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-694979
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['Na', 'Ti', 'Fe', 'P', 'O']
  • Chemical System: Fe-Na-O-P-Ti
  • Density: 2.9771552969940744
  • Atomic Density: 0.07838097296998342
  • Unit Cell Volume: 484.81153729174025
  • Molar Volume: 7.683166630639077
  • Full Formula: Na4 Ti2 Fe2 P6 O24
  • Reduced Formula: Na2TiFe(PO4)3
  • Formula Anonymous: ABC2D3E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -292.62813843
  • Final energy per atom: -7.700740485
  • 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.