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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226717

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-1226717
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ce', 'Th', 'Al']
  • Chemical System: Al-Ce-Th
  • Density: 8.911474553637746
  • Atomic Density: 0.03617157536904597
  • Unit Cell Volume: 165.87610406193514
  • Molar Volume: 16.648820789689687
  • Full Formula: Ce1 Th3 Al2
  • Reduced Formula: CeTh3Al2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -36.85651559
  • Final energy per atom: -6.142752598333334
  • 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.