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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225042

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-1225042
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Ga', 'Te', 'Pd']
  • Chemical System: Ga-Pd-Te
  • Density: 10.6304730820202
  • Atomic Density: 0.05913910789938377
  • Unit Cell Volume: 744.0085175931184
  • Molar Volume: 10.183009135419764
  • Full Formula: Ga3 Te9 Pd32
  • Reduced Formula: Ga3Te9Pd32
  • Formula Anonymous: A3B9C32
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -218.66226057
  • Final energy per atom: -4.969596831136363
  • 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.