Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1223497

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-1223497
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['La', 'Ge', 'Pd', 'Pt']
  • Chemical System: Ge-La-Pd-Pt
  • Density: 8.915893360952689
  • Atomic Density: 0.049590859842907176
  • Unit Cell Volume: 201.65006276716673
  • Molar Volume: 12.143650622467133
  • Full Formula: La2 Ge4 Pd3 Pt1
  • Reduced Formula: La2Ge4Pd3Pt
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -58.69277579
  • Final energy per atom: -5.869277579
  • 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.