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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224823

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-1224823
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ga', 'Ge', 'Pt']
  • Chemical System: Ga-Ge-Pt
  • Density: 17.584496353603967
  • Atomic Density: 0.06452828033408127
  • Unit Cell Volume: 123.97664959583184
  • Molar Volume: 9.332560435241206
  • Full Formula: Ga1 Ge1 Pt6
  • Reduced Formula: GaGePt6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -47.15183711
  • Final energy per atom: -5.89397963875
  • 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.