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  1. Third-Parties
  2. MatprojStructure
  3. mp-17746

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-17746
  • 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: 18
  • Number of elements: 3
  • Element list: ['Hf', 'Ge', 'Pd']
  • Chemical System: Ge-Hf-Pd
  • Density: 11.582131206005442
  • Atomic Density: 0.05852263273454663
  • Unit Cell Volume: 307.5733123908894
  • Molar Volume: 10.290276562429936
  • Full Formula: Hf6 Ge6 Pd6
  • Reduced Formula: HfGePd
  • Formula Anonymous: ABC
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -133.46528881
  • Final energy per atom: -7.414738267222223
  • 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.