Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-607917

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-607917
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['La', 'Fe', 'Sn', 'C']
  • Chemical System: C-Fe-La-Sn
  • Density: 6.454809428813407
  • Atomic Density: 0.043002984659441176
  • Unit Cell Volume: 1116.2015934506012
  • Molar Volume: 14.004006483949613
  • Full Formula: La21 Fe8 Sn7 C12
  • Reduced Formula: La21Fe8Sn7C12
  • Formula Anonymous: A7B8C12D21
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -331.95337815
  • Final energy per atom: -6.915695378125
  • 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.