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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219277

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-1219277
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Sm', 'Cr', 'Fe']
  • Chemical System: Cr-Fe-Sm
  • Density: 8.069109115588986
  • Atomic Density: 0.07772039026748381
  • Unit Cell Volume: 167.26627279223612
  • Molar Volume: 7.7484695319646475
  • Full Formula: Sm1 Cr2 Fe10
  • Reduced Formula: Sm(CrFe5)2
  • Formula Anonymous: AB2C10
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -108.35022753
  • Final energy per atom: -8.334632886923076
  • 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.