Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1204974

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-1204974
  • 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: 46
  • Number of elements: 3
  • Element list: ['Sm', 'Cd', 'Pd']
  • Chemical System: Cd-Pd-Sm
  • Density: 8.568568907567421
  • Atomic Density: 0.04544753222737597
  • Unit Cell Volume: 1012.1561665847995
  • Molar Volume: 13.250754144077545
  • Full Formula: Sm2 Cd40 Pd4
  • Reduced Formula: Sm(Cd10Pd)2
  • Formula Anonymous: AB2C20
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -75.73259816
  • Final energy per atom: -1.6463608295652172
  • 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.