Sm4Al18CuRh5
High-Entropy Materials HEAMP-ID: mp-3296878 · Space group: C2 (#5)
Basic Information
Formula
Sm4Al18CuRh5
MP-ID
mp-3296878
Elements
4
Sites
28
Density
5.8799
g/cm³
Volume
470.26
ų
Cell a
7.5437
Å
Cell b
7.5437
Å
Cell c
9.4921
Å
α Angle
89.94
°
β Angle
89.94
°
γ Angle
119.47
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 9.32 | 9.4921 | 1.1 | (0,0,0,1) |
| 13.48 | 6.5674 | 13.7 | (1,0,-1,0) |
| 13.59 | 6.5157 | 11.5 | (1,-1,0,0) |
| 16.40 | 5.4049 | 19.4 | (1,0,-1,1) |
| 16.43 | 5.3966 | 12.4 | (1,0,-1,-1) |
| 23.10 | 3.8497 | 1.8 | (1,0,-1,2) |
| 23.14 | 3.8437 | 2.3 | (1,0,-1,-2) |
| 23.19 | 3.8362 | 9.0 | (1,-1,0,2) |
| 23.40 | 3.8018 | 4.4 | (1,1,-2,0) |
| 23.59 | 3.7717 | 9.4 | (2,-1,-1,0) |
| 25.22 | 3.5316 | 11.9 | (1,1,-2,1) |
| 25.25 | 3.5269 | 17.2 | (1,1,-2,-1) |
| 25.40 | 3.5063 | 35.9 | (2,-1,-1,1) |
| 25.42 | 3.5040 | 12.5 | (1,-2,1,1) |
| 25.42 | 3.5040 | 12.5 | (2,-1,-1,-1) |
| 27.16 | 3.2837 | 3.6 | (2,0,-2,0) |
| 27.38 | 3.2578 | 7.6 | (2,-2,0,0) |
| 28.75 | 3.1048 | 6.7 | (2,0,-2,1) |
| 28.78 | 3.1017 | 9.0 | (2,0,-2,-1) |
| 30.09 | 2.9700 | 27.0 | (1,1,-2,2) |
| 30.15 | 2.9644 | 26.8 | (1,1,-2,-2) |
| 30.25 | 2.9542 | 52.1 | (2,-1,-1,2) |
| 30.28 | 2.9515 | 52.5 | (2,-1,-1,-2) |
| 31.36 | 2.8523 | 4.3 | (1,0,-1,3) |
Energy Properties
Formation Energy/atom
-0.82457
eV/atom
Energy/atom
-14.09734
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.0973
eV/atom
Volume/atom
16.80
ų
c/a Ratio
1.2583
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0063
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.643
Element Family
PostTransition-Noble
Solute Fraction
0.357
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9887
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2198
J/mol·K
Ω Parameter
1.6173
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.972%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3261
smaller = more stable mixing
VEC
4.786
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.303
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7132
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296878
Reference Citation
The crystal structure and related material properties of Sm4Al18CuRh5 were obtained from the Materials Project database (MP-ID: mp-3296878, 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_Sm4Al18CuRh5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54370155
_cell_length_b 7.54370154
_cell_length_c 9.49212351
_cell_angle_alpha 89.94489819
_cell_angle_beta 89.94489470
_cell_angle_gamma 119.47415235
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm4Al18CuRh5
_chemical_formula_sum 'Sm4 Al18 Cu1 Rh5'
_cell_volume 470.26120255
_cell_formula_units_Z 1
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
Sm Sm0 1 0.99278011 0.66880807 0.24927693 1.0
Sm Sm1 1 0.00358595 0.32884419 0.75118423 1.0
Sm Sm2 1 0.67115581 0.99641405 0.24881577 1.0
Sm Sm3 1 0.33119193 0.00721989 0.75072307 1.0
Al Al4 1 0.13071368 0.12926939 0.25050965 1.0
Al Al5 1 0.87073061 0.86928632 0.74949035 1.0
Al Al6 1 0.00712233 0.33586942 0.07446556 1.0
Al Al7 1 0.99997040 0.66878854 0.92589674 1.0
Al Al8 1 0.99925174 0.66487262 0.57156321 1.0
Al Al9 1 0.33512738 0.00074826 0.42843679 1.0
Al Al10 1 0.00172544 0.33473196 0.42772329 1.0
Al Al11 1 0.66526804 0.99827456 0.57227671 1.0
Al Al12 1 0.66413058 0.99287767 0.92553444 1.0
Al Al13 1 0.33121146 0.00002960 0.07410326 1.0
Al Al14 1 0.33332752 0.33338199 0.54453332 1.0
Al Al15 1 0.66661801 0.66667248 0.45546668 1.0
Al Al16 1 0.66458580 0.66686625 0.05032541 1.0
Al Al17 1 0.33313375 0.33541420 0.94967459 1.0
Al Al18 1 0.34158778 0.54907165 0.25062514 1.0
Al Al19 1 0.65949512 0.45415452 0.74659179 1.0
Al Al20 1 0.54584548 0.34050488 0.25340821 1.0
Al Al21 1 0.45092835 0.65841222 0.74937486 1.0
Cu Cu22 1 0.67245313 0.32754687 0.00000000 1.0
Rh Rh23 1 0.32817136 0.67182864 1.00000000 1.0
Rh Rh24 1 0.32873368 0.67126632 0.50000000 1.0
Rh Rh25 1 0.67165140 0.32834860 0.50000000 1.0
Rh Rh26 1 0.99927939 0.00072061 0.00000000 1.0
Rh Rh27 1 0.00022477 0.99977523 0.50000000 1.0
