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  1. Third-Parties
  2. MatprojStructure
  3. mp-985581

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-985581
  • 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: 13
  • Number of elements: 2
  • Element list: ['Sm', 'Fe']
  • Chemical System: Fe-Sm
  • Density: 7.7356299582266095
  • Atomic Density: 0.07380934581274354
  • Unit Cell Volume: 176.12945700645253
  • Molar Volume: 8.159049092886347
  • Full Formula: Sm1 Fe12
  • Reduced Formula: SmFe12
  • Formula Anonymous: AB12
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -102.99398376
  • Final energy per atom: -7.922614135384616
  • 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.