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  1. Third-Parties
  2. MatprojStructure
  3. mp-30721

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-30721
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Hg', 'Pd']
  • Chemical System: Hg-Pd
  • Density: 13.585740139048012
  • Atomic Density: 0.0471057235477195
  • Unit Cell Volume: 297.2037991480501
  • Molar Volume: 12.784307949116613
  • Full Formula: Hg10 Pd4
  • Reduced Formula: Hg5Pd2
  • Formula Anonymous: A2B5
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -24.5944782
  • Final energy per atom: -1.756748442857143
  • 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.