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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218992

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-1218992
  • 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: 6
  • Number of elements: 3
  • Element list: ['Sm', 'Y', 'Fe']
  • Chemical System: Fe-Sm-Y
  • Density: 7.6338149863848255
  • Atomic Density: 0.059620431134995135
  • Unit Cell Volume: 100.6366422680598
  • Molar Volume: 10.100800422533696
  • Full Formula: Sm1 Y1 Fe4
  • Reduced Formula: SmYFe4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -43.79781842
  • Final energy per atom: -7.299636403333333
  • 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.