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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197596

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-1197596
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 4
  • Element list: ['Ce', 'Fe', 'B', 'C']
  • Chemical System: B-C-Ce-Fe
  • Density: 6.951748510312448
  • Atomic Density: 0.06892100119469584
  • Unit Cell Volume: 1421.917823322945
  • Molar Volume: 8.737744164493455
  • Full Formula: Ce33 Fe13 B18 C34
  • Reduced Formula: Ce33Fe13(B9C17)2
  • Formula Anonymous: A13B18C33D34
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -768.75556551
  • Final energy per atom: -7.844444546020408
  • 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.