Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1227651

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-1227651
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 4
  • Element list: ['Ce', 'Fe', 'Si', 'C']
  • Chemical System: C-Ce-Fe-Si
  • Density: 7.597456795315605
  • Atomic Density: 0.07805999878254793
  • Unit Cell Volume: 320.2664666911231
  • Molar Volume: 7.714758972487179
  • Full Formula: Ce2 Fe20 Si2 C1
  • Reduced Formula: Ce2Fe20Si2C
  • Formula Anonymous: AB2C2D20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -203.98850359
  • Final energy per atom: -8.1595401436
  • 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.