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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221220

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-1221220
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'Fe', 'O']
  • Chemical System: Al-Fe-Na-O
  • Density: 3.0891974796901898
  • Atomic Density: 0.07181622969421673
  • Unit Cell Volume: 222.7908659104734
  • Molar Volume: 8.385487215969727
  • Full Formula: Na4 Al1 Fe3 O8
  • Reduced Formula: Na4AlFe3O8
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -106.81898608
  • Final energy per atom: -6.67618663
  • 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.