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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216145

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-1216145
  • 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: 15
  • Number of elements: 3
  • Element list: ['Y', 'Fe', 'Si']
  • Chemical System: Fe-Si-Y
  • Density: 5.020686610642109
  • Atomic Density: 0.06935109030531801
  • Unit Cell Volume: 216.29075958233005
  • Molar Volume: 8.683555995280738
  • Full Formula: Y2 Fe4 Si9
  • Reduced Formula: Y2Fe4Si9
  • Formula Anonymous: A2B4C9
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -100.09330308
  • Final energy per atom: -6.672886872
  • 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.