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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226343

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-1226343
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'Si']
  • Chemical System: Cr-Fe-Si
  • Density: 7.401774701878982
  • Atomic Density: 0.09159544672616929
  • Unit Cell Volume: 174.68117217478147
  • Molar Volume: 6.5747162934895576
  • Full Formula: Cr1 Fe11 Si4
  • Reduced Formula: CrFe11Si4
  • Formula Anonymous: AB4C11
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -129.02661698
  • Final energy per atom: -8.06416356125
  • 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.