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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245976

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-1245976
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Fe', 'Si', 'N']
  • Chemical System: Fe-N-Si
  • Density: 4.7109636286459935
  • Atomic Density: 0.09018999559065607
  • Unit Cell Volume: 177.4032684580555
  • Molar Volume: 6.67717158711549
  • Full Formula: Fe6 Si2 N8
  • Reduced Formula: Fe3SiN4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -132.32148591
  • Final energy per atom: -8.270092869375
  • 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.