Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224919

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-1224919
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['La', 'Ge', 'Pd', 'Pt']
  • Chemical System: Ge-La-Pd-Pt
  • Density: 9.241918623724416
  • Atomic Density: 0.05003834909286246
  • Unit Cell Volume: 599.5401635718482
  • Molar Volume: 12.035050854343648
  • Full Formula: La6 Ge12 Pd8 Pt4
  • Reduced Formula: La3Ge6(Pd2Pt)2
  • Formula Anonymous: A2B3C4D6
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -178.07092129
  • Final energy per atom: -5.935697376333334
  • 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.