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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227149

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-1227149
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ce', 'Fe', 'C']
  • Chemical System: C-Ce-Fe
  • Density: 7.730568329416762
  • Atomic Density: 0.07499078920118497
  • Unit Cell Volume: 266.6994201960468
  • Molar Volume: 8.030507245154903
  • Full Formula: Ce2 Fe17 C1
  • Reduced Formula: Ce2Fe17C
  • Formula Anonymous: AB2C17
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -165.27315133
  • Final energy per atom: -8.2636575665
  • 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.