Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224737

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-1224737
  • 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: 8
  • Number of elements: 4
  • Element list: ['Fe', 'Cu', 'Ni', 'Pt']
  • Chemical System: Cu-Fe-Ni-Pt
  • Density: 15.29253215960206
  • Atomic Density: 0.07263880343253436
  • Unit Cell Volume: 110.13397277985533
  • Molar Volume: 8.290528581728715
  • Full Formula: Fe2 Cu1 Ni1 Pt4
  • Reduced Formula: Fe2CuNiPt4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -52.46041292
  • Final energy per atom: -6.557551615
  • 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.