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  1. Third-Parties
  2. MatprojStructure
  3. mp-669525

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-669525
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 2
  • Element list: ['Sb', 'Pd']
  • Chemical System: Pd-Sb
  • Density: 10.207412645362792
  • Atomic Density: 0.0555772647157119
  • Unit Cell Volume: 791.6906351017493
  • Molar Volume: 10.83561918853757
  • Full Formula: Sb12 Pd32
  • Reduced Formula: Sb3Pd8
  • Formula Anonymous: A3B8
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -228.38131138
  • Final energy per atom: -5.1904843495454545
  • 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.