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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245426

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-1245426
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Na', 'Fe', 'N']
  • Chemical System: Fe-N-Na
  • Density: 3.151026428474968
  • Atomic Density: 0.07449928405854446
  • Unit Cell Volume: 644.3014937201237
  • Molar Volume: 8.083488098043418
  • Full Formula: Na24 Fe8 N16
  • Reduced Formula: Na3FeN2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -224.61576218
  • Final energy per atom: -4.679495045416666
  • 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.