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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219537

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-1219537
  • 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: 39
  • Number of elements: 3
  • Element list: ['Sc', 'Ga', 'Fe']
  • Chemical System: Fe-Ga-Sc
  • Density: 7.233889932865596
  • Atomic Density: 0.07176745605007878
  • Unit Cell Volume: 543.4217979356283
  • Molar Volume: 8.39118604928367
  • Full Formula: Sc3 Ga16 Fe20
  • Reduced Formula: Sc3(Ga4Fe5)4
  • Formula Anonymous: A3B16C20
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -247.47202903
  • Final energy per atom: -6.345436641794872
  • 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.