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  1. Third-Parties
  2. MatprojStructure
  3. mp-21717

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-21717
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Fe', 'C']
  • Chemical System: C-Fe
  • Density: 7.78347660061596
  • Atomic Density: 0.10978688391904755
  • Unit Cell Volume: 364.34224719862164
  • Molar Volume: 5.485300743612038
  • Full Formula: Fe28 C12
  • Reduced Formula: Fe7C3
  • Formula Anonymous: A3B7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -345.32501505
  • Final energy per atom: -8.63312537625
  • 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.