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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225187

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-1225187
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Fe', 'Si', 'B']
  • Chemical System: B-Fe-Si
  • Density: 7.075666555402362
  • Atomic Density: 0.09115396161352998
  • Unit Cell Volume: 175.52720382945068
  • Molar Volume: 6.606559554188519
  • Full Formula: Fe12 Si2 B2
  • Reduced Formula: Fe6SiB
  • Formula Anonymous: ABC6
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -128.23481029
  • Final energy per atom: -8.014675643125
  • 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.