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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219360

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-1219360
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Sm', 'Ti', 'Fe', 'N']
  • Chemical System: Fe-N-Sm-Ti
  • Density: 7.743629633137014
  • Atomic Density: 0.07686135749910077
  • Unit Cell Volume: 546.4384362518106
  • Molar Volume: 7.835069475673072
  • Full Formula: Sm4 Ti1 Fe33 N4
  • Reduced Formula: Sm4TiFe33N4
  • Formula Anonymous: AB4C4D33
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -347.89731538
  • Final energy per atom: -8.283269413809524
  • 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.