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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224896

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-1224896
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Fe', 'Sb', 'Pd']
  • Chemical System: Fe-Pd-Sb
  • Density: 7.335673081370819
  • Atomic Density: 0.039583529476100644
  • Unit Cell Volume: 404.2085233874944
  • Molar Volume: 15.213753901445271
  • Full Formula: Fe2 Sb12 Pd2
  • Reduced Formula: FeSb6Pd
  • Formula Anonymous: ABC6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -82.18305321
  • Final energy per atom: -5.136440825625
  • 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.