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  1. Third-Parties
  2. MatprojStructure
  3. mp-1018068

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-1018068
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Cr', 'Fe', 'Si']
  • Chemical System: Cr-Fe-Si
  • Density: 7.28977948534391
  • Atomic Density: 0.09156742329995121
  • Unit Cell Volume: 43.683657963127715
  • Molar Volume: 6.57672842914125
  • Full Formula: Cr1 Fe2 Si1
  • Reduced Formula: CrFe2Si
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -32.970656000000005
  • Final energy per atom: -8.242664000000001
  • 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.