Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219232

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-1219232
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Sm', 'Cr', 'Fe', 'C']
  • Chemical System: C-Cr-Fe-Sm
  • Density: 7.8353036594281
  • Atomic Density: 0.07824420432435725
  • Unit Cell Volume: 268.39048567668476
  • Molar Volume: 7.6965965875702835
  • Full Formula: Sm2 Cr2 Fe15 C2
  • Reduced Formula: Sm2Cr2Fe15C2
  • Formula Anonymous: A2B2C2D15
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -171.13835501
  • Final energy per atom: -8.149445476666667
  • 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.