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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226542

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-1226542
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ce', 'Y', 'Cu']
  • Chemical System: Ce-Cu-Y
  • Density: 7.339573080660486
  • Atomic Density: 0.054883369758853905
  • Unit Cell Volume: 109.32273339561237
  • Molar Volume: 10.972614812938842
  • Full Formula: Ce1 Y1 Cu4
  • Reduced Formula: CeYCu4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -29.99598218
  • Final energy per atom: -4.999330363333333
  • 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.