Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1194935

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-1194935
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 3
  • Element list: ['Sm', 'Si', 'Pt']
  • Chemical System: Pt-Si-Sm
  • Density: 14.115051046106522
  • Atomic Density: 0.05994154697900761
  • Unit Cell Volume: 1234.5360393504002
  • Molar Volume: 10.046688921974336
  • Full Formula: Sm6 Si22 Pt46
  • Reduced Formula: Sm3Si11Pt23
  • Formula Anonymous: A3B11C23
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -491.65420414
  • Final energy per atom: -6.643975731621621
  • 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.