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  1. Third-Parties
  2. MatprojStructure
  3. mp-567387

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-567387
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 3
  • Element list: ['Ce', 'Ti', 'Al']
  • Chemical System: Al-Ce-Ti
  • Density: 3.2446736695390928
  • Atomic Density: 0.05795337450283064
  • Unit Cell Volume: 793.7415274714193
  • Molar Volume: 10.391354794544117
  • Full Formula: Ce2 Ti4 Al40
  • Reduced Formula: Ce(TiAl10)2
  • Formula Anonymous: AB2C20
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -205.17954738
  • Final energy per atom: -4.460424943043479
  • 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.