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  1. Third-Parties
  2. MatprojStructure
  3. mp-22793

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-22793
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Al', 'Fe', 'C']
  • Chemical System: Al-C-Fe
  • Density: 6.473381531640895
  • Atomic Density: 0.09437886996034664
  • Unit Cell Volume: 52.977960025382316
  • Molar Volume: 6.38081464901011
  • Full Formula: Al1 Fe3 C1
  • Reduced Formula: AlFe3C
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -39.1852815
  • Final energy per atom: -7.8370563
  • 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.