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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219358

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-1219358
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Sc', 'Al', 'Fe']
  • Chemical System: Al-Fe-Sc
  • Density: 4.413970243382079
  • Atomic Density: 0.062406574612878074
  • Unit Cell Volume: 192.28743244503775
  • Molar Volume: 9.649849871358402
  • Full Formula: Sc4 Al4 Fe4
  • Reduced Formula: ScAlFe
  • Formula Anonymous: ABC
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -78.92616369
  • Final energy per atom: -6.5771803075
  • 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.