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  1. Third-Parties
  2. MatprojStructure
  3. mp-29933

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-29933
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 3
  • Element list: ['Hf', 'P', 'Pd']
  • Chemical System: Hf-P-Pd
  • Density: 10.363814577874992
  • Atomic Density: 0.0634073524653513
  • Unit Cell Volume: 331.1918757603918
  • Molar Volume: 9.497543306654817
  • Full Formula: Hf5 P7 Pd9
  • Reduced Formula: Hf5P7Pd9
  • Formula Anonymous: A5B7C9
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -152.93905317
  • Final energy per atom: -7.2828120557142855
  • 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.