Sm10DyPa9Rh16
High-Entropy Materials HEAMP-ID: mp-3293237 · Space group: Pm (#6)
Basic Information
Formula
Sm10DyPa9Rh16
MP-ID
mp-3293237
Elements
4
Sites
36
Density
11.1568
g/cm³
Volume
802.52
ų
Cell a
7.4447
Å
Cell b
7.4724
Å
Cell c
14.4277
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
89.14
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 12.27 | 7.2138 | 3.5 | (0,0,2) |
| 13.35 | 6.6347 | 26.4 | (0,1,1) |
| 13.38 | 6.6153 | 1.4 | (1,0,1) |
| 16.68 | 5.3135 | 12.2 | (1,1,0) |
| 16.94 | 5.2342 | 8.6 | (1,-1,0) |
| 17.09 | 5.1897 | 1.3 | (0,1,2) |
| 17.79 | 4.9861 | 2.0 | (1,1,1) |
| 21.98 | 4.0439 | 4.8 | (0,1,3) |
| 23.91 | 3.7219 | 3.8 | (2,0,0) |
| 24.68 | 3.6069 | 5.7 | (0,0,4) |
| 24.70 | 3.6039 | 11.5 | (2,0,1) |
| 24.97 | 3.5656 | 5.3 | (1,1,3) |
| 25.15 | 3.5414 | 5.3 | (1,-1,3) |
| 26.53 | 3.3592 | 11.5 | (1,2,0) |
| 26.60 | 3.3516 | 9.9 | (2,1,0) |
| 26.86 | 3.3190 | 10.5 | (1,-2,0) |
| 26.88 | 3.3173 | 1.8 | (0,2,2) |
| 26.92 | 3.3117 | 10.0 | (2,-1,0) |
| 26.96 | 3.3076 | 5.1 | (2,0,2) |
| 27.26 | 3.2717 | 12.0 | (1,2,1) |
| 27.32 | 3.2647 | 3.5 | (2,1,1) |
| 27.58 | 3.2345 | 7.6 | (1,-2,1) |
| 27.64 | 3.2277 | 6.2 | (2,-1,1) |
| 29.33 | 3.0452 | 2.0 | (1,2,2) |
Energy Properties
Formation Energy/atom
-0.77866
eV/atom
Energy/atom
-39.86740
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-39.8674
eV/atom
Volume/atom
22.29
ų
c/a Ratio
1.9380
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.9251
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001150
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 0.444
Element Family
4d-TM
Solute Fraction
0.556
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1623
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.6637
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.972%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4916
smaller = more stable mixing
VEC
7.926
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8385
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293237
Reference Citation
The crystal structure and related material properties of Sm10DyPa9Rh16 were obtained from the Materials Project database (MP-ID: mp-3293237, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Sm10DyPa9Rh16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44470075
_cell_length_b 7.47239718
_cell_length_c 14.42766905
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 89.13860287
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm10DyPa9Rh16
_chemical_formula_sum 'Sm10 Dy1 Pa9 Rh16'
_cell_volume 802.51707553
_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 0.49982140 0.67319729 0.59520942 1.0
Sm Sm1 1 0.00041043 0.82745889 0.91059372 1.0
Sm Sm2 1 0.49906893 0.32555200 0.09397323 1.0
Sm Sm3 1 0.99822202 0.17754509 0.40626212 1.0
Sm Sm4 1 0.49906893 0.32555200 0.40602677 1.0
Sm Sm5 1 0.99822202 0.17754509 0.09373788 1.0
Sm Sm6 1 0.49982140 0.67319729 0.90479058 1.0
Sm Sm7 1 0.00041043 0.82745889 0.58940628 1.0
Sm Sm8 1 0.30069803 0.97151225 0.75000000 1.0
Sm Sm9 1 0.69417498 0.03064201 0.25000000 1.0
Dy Dy10 1 0.19363827 0.47531733 0.25000000 1.0
Pa Pa11 1 0.65003227 0.15203344 0.62028264 1.0
Pa Pa12 1 0.16219815 0.34114187 0.88157041 1.0
Pa Pa13 1 0.34851944 0.84335136 0.12123257 1.0
Pa Pa14 1 0.84432477 0.65476749 0.37925240 1.0
Pa Pa15 1 0.34851944 0.84335136 0.37876743 1.0
Pa Pa16 1 0.84432477 0.65476749 0.12074760 1.0
Pa Pa17 1 0.65003227 0.15203344 0.87971736 1.0
Pa Pa18 1 0.16219815 0.34114187 0.61842959 1.0
Pa Pa19 1 0.81153711 0.53079664 0.75000000 1.0
Rh Rh20 1 0.68086517 0.95147485 0.46306999 1.0
Rh Rh21 1 0.18066480 0.54928790 0.04025398 1.0
Rh Rh22 1 0.32169248 0.05177455 0.96455745 1.0
Rh Rh23 1 0.82902879 0.45146351 0.54217395 1.0
Rh Rh24 1 0.32169248 0.05177455 0.53544255 1.0
Rh Rh25 1 0.82902879 0.45146351 0.95782605 1.0
Rh Rh26 1 0.68086517 0.95147485 0.03693001 1.0
Rh Rh27 1 0.18066480 0.54928790 0.45974602 1.0
Rh Rh28 1 0.45785364 0.35943351 0.75000000 1.0
Rh Rh29 1 0.93483434 0.16723818 0.75000000 1.0
Rh Rh30 1 0.54560501 0.64867874 0.25000000 1.0
Rh Rh31 1 0.04500668 0.84276891 0.25000000 1.0
Rh Rh32 1 0.70599931 0.86795405 0.75000000 1.0
Rh Rh33 1 0.16275313 0.61140393 0.75000000 1.0
Rh Rh34 1 0.30148225 0.10302022 0.25000000 1.0
Rh Rh35 1 0.81671497 0.39314076 0.25000000 1.0
