Basic Information
Formula
CrFeCoNi
MP-ID
mp-1012640
Elements
4
Sites
8
Density
8.4717
g/cm³
Volume
88.39
ų
Cell a
4.0126
Å
Cell b
4.3705
Å
Cell c
5.0402
Å
α Angle
89.63
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 18)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 41.24 | 2.1892 | 22.1 | (0,1,2) |
| 41.32 | 2.1852 | 25.3 | (0,2,0) |
| 41.48 | 2.1771 | 26.0 | (0,1,-2) |
| 45.19 | 2.0063 | 74.5 | (2,0,0) |
| 47.30 | 1.9218 | 100.0 | (1,1,2) |
| 47.37 | 1.9191 | 95.1 | (1,2,0) |
| 47.52 | 1.9136 | 93.0 | (1,1,-2) |
| 62.83 | 1.4791 | 11.4 | (2,1,2) |
| 62.89 | 1.4779 | 13.1 | (2,2,0) |
| 63.01 | 1.4753 | 13.5 | (2,1,-2) |
| 75.11 | 1.2648 | 14.2 | (0,3,2) |
| 75.44 | 1.2600 | 14.1 | (0,0,4) |
| 75.61 | 1.2577 | 14.0 | (0,3,-2) |
| 84.98 | 1.1414 | 15.7 | (3,1,2) |
| 85.03 | 1.1408 | 15.0 | (3,2,0) |
| 85.14 | 1.1396 | 14.8 | (3,1,-2) |
| 89.54 | 1.0946 | 2.7 | (0,2,4) |
| 89.75 | 1.0926 | 2.1 | (0,4,0) |
Energy Properties
Formation Energy/atom
0.01821
eV/atom
Energy/atom
-7.74095
eV/atom
Energy above Hull
0.0666
eV/atom
Uncorrected Energy
-7.7409
eV/atom
Volume/atom
11.05
ų
c/a Ratio
1.2561
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.2127
μB
Mag. Ordering
FiM
Mag. Sites
8
Magnetization/Volume
0.025030
μB/ų
Elastic Properties
KVRH
191.177
GPa
GVRH
97.130
GPa
Young's Modulus E
249.189
GPa
Poisson Ratio ν
0.283
Pugh Ratio K/G
1.968
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.265
Lame λ
126.424
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 0.250
Element Family
3d-TM
Solute Fraction
0.750
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3863
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.5257
J/mol·K
Ω Parameter
5.7528
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
1.176%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.0967
smaller = more stable mixing
VEC
8.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.750
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
1
Phase Tendency
SS
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1012640
Reference Citation
The crystal structure and related material properties of CrFeCoNi were obtained from the Materials Project database (MP-ID: mp-1012640, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_CrFeCoNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01256600
_cell_length_b 4.37047000
_cell_length_c 5.04023072
_cell_angle_alpha 89.63064983
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrFeCoNi
_chemical_formula_sum 'Cr2 Fe2 Co2 Ni2'
_cell_volume 88.38767824
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.30273700 0.62627600 1.0
Cr Cr1 1 0.50000000 0.62962600 0.12387500 1.0
Fe Fe2 1 0.50000000 0.13618300 0.38199400 1.0
Fe Fe3 1 0.00000000 0.79351000 0.37671400 1.0
Co Co4 1 0.50000000 0.63743000 0.63084700 1.0
Co Co5 1 0.50000000 0.13074900 0.87994700 1.0
Ni Ni6 1 0.00000000 0.80221500 0.87421100 1.0
Ni Ni7 1 0.00000000 0.29688700 0.12405000 1.0
