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  1. Third-Parties
  2. MatprojStructure
  3. mp-405

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-405
  • 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: 28
  • Number of elements: 2
  • Element list: ['Ga', 'Pd']
  • Chemical System: Ga-Pd
  • Density: 10.489118951010662
  • Atomic Density: 0.06584339055736944
  • Unit Cell Volume: 425.2514908934338
  • Molar Volume: 9.146158344857561
  • Full Formula: Ga8 Pd20
  • Reduced Formula: Ga2Pd5
  • Formula Anonymous: A2B5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -143.65671491
  • Final energy per atom: -5.130596961071428
  • 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.