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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103758

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-1103758
  • 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: 14
  • Number of elements: 2
  • Element list: ['Ce', 'Au']
  • Chemical System: Au-Ce
  • Density: 15.566372535943284
  • Atomic Density: 0.049640105487498996
  • Unit Cell Volume: 282.030021139372
  • Molar Volume: 12.131603470336241
  • Full Formula: Ce2 Au12
  • Reduced Formula: CeAu6
  • Formula Anonymous: AB6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -56.45735537
  • Final energy per atom: -4.032668240714286
  • 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.