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  1. Third-Parties
  2. MatprojStructure
  3. mp-30662

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-30662
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Zn', 'Ga', 'Pd']
  • Chemical System: Ga-Pd-Zn
  • Density: 9.659319504639301
  • Atomic Density: 0.06674898050995486
  • Unit Cell Volume: 209.74103114446908
  • Molar Volume: 9.022071519282404
  • Full Formula: Zn3 Ga4 Pd7
  • Reduced Formula: Zn3Ga4Pd7
  • Formula Anonymous: A3B4C7
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -60.63863871
  • Final energy per atom: -4.331331336428572
  • 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.