Sm2Dy3Sn4
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3293430 · Space group: Pnma (#62)
Basic Information
Formula
Sm2Dy3Sn4
MP-ID
mp-3293430
Elements
3
Sites
36
Density
8.1371
g/cm³
Volume
1,031.01
ų
Cell a
8.0799
Å
Cell b
8.2214
Å
Cell c
15.5207
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 11.40 | 7.7604 | 4.9 | (0,0,2) |
| 12.18 | 7.2651 | 2.1 | (0,1,1) |
| 15.38 | 5.7627 | 2.4 | (1,1,0) |
| 22.74 | 3.9097 | 1.3 | (2,0,1) |
| 24.55 | 3.6258 | 6.9 | (2,1,0) |
| 24.97 | 3.5658 | 6.1 | (1,2,1) |
| 25.22 | 3.5308 | 3.2 | (2,1,1) |
| 27.15 | 3.2850 | 8.7 | (2,1,2) |
| 28.02 | 3.1842 | 5.1 | (2,0,3) |
| 29.88 | 2.9900 | 100.0 | (1,2,3) |
| 30.10 | 2.9692 | 58.4 | (2,1,3) |
| 30.79 | 2.9040 | 3.2 | (0,1,5) |
| 31.04 | 2.8814 | 30.7 | (2,2,0) |
| 31.58 | 2.8330 | 14.9 | (2,2,1) |
| 31.71 | 2.8217 | 39.8 | (0,2,4) |
| 31.98 | 2.7985 | 21.7 | (2,0,4) |
| 32.77 | 2.7329 | 31.8 | (1,1,5) |
| 33.17 | 2.7012 | 3.1 | (2,2,2) |
| 33.20 | 2.6987 | 3.2 | (0,3,1) |
| 33.64 | 2.6639 | 23.8 | (1,2,4) |
| 33.84 | 2.6492 | 53.2 | (2,1,4) |
| 34.56 | 2.5952 | 4.5 | (1,3,0) |
| 34.68 | 2.5868 | 27.3 | (0,0,6) |
| 35.06 | 2.5597 | 56.2 | (1,3,1) |
Energy Properties
Formation Energy/atom
-0.90896
eV/atom
Energy/atom
-29.17518
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.1752
eV/atom
Volume/atom
28.64
ų
c/a Ratio
1.9209
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0034
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.444
Element Family
PostTransition-Noble
Solute Fraction
0.556
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0609
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8200
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.636%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3781
smaller = more stable mixing
VEC
6.444
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9656
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.567
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.444
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293430
Reference Citation
The crystal structure and related material properties of Sm2Dy3Sn4 were obtained from the Materials Project database (MP-ID: mp-3293430, 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_Sm2Dy3Sn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.07993149
_cell_length_b 8.22135098
_cell_length_c 15.52073256
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm2Dy3Sn4
_chemical_formula_sum 'Sm8 Dy12 Sn16'
_cell_volume 1031.01048753
_cell_formula_units_Z 4
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 0.51821493 0.32037870 0.90252132 1.0
Sm Sm1 1 0.01821493 0.17962130 0.59747868 1.0
Sm Sm2 1 0.48178507 0.67962130 0.40252132 1.0
Sm Sm3 1 0.98178507 0.82037870 0.09747868 1.0
Sm Sm4 1 0.48178507 0.67962130 0.09747868 1.0
Sm Sm5 1 0.98178507 0.82037870 0.40252132 1.0
Sm Sm6 1 0.51821493 0.32037870 0.59747868 1.0
Sm Sm7 1 0.01821493 0.17962130 0.90252132 1.0
Dy Dy8 1 0.36503826 0.83843657 0.87795486 1.0
Dy Dy9 1 0.86503826 0.66156343 0.62204514 1.0
Dy Dy10 1 0.63496174 0.16156343 0.37795486 1.0
Dy Dy11 1 0.13496174 0.33843657 0.12204514 1.0
Dy Dy12 1 0.63496174 0.16156343 0.12204514 1.0
Dy Dy13 1 0.13496174 0.33843657 0.37795486 1.0
Dy Dy14 1 0.36503826 0.83843657 0.62204514 1.0
Dy Dy15 1 0.86503826 0.66156343 0.87795486 1.0
Dy Dy16 1 0.19832681 0.50378474 0.75000000 1.0
Dy Dy17 1 0.69832681 0.99621526 0.75000000 1.0
Dy Dy18 1 0.80167319 0.49621526 0.25000000 1.0
Dy Dy19 1 0.30167319 0.00378474 0.25000000 1.0
Sn Sn20 1 0.29516124 0.03931744 0.04205808 1.0
Sn Sn21 1 0.79516124 0.46068256 0.45794192 1.0
Sn Sn22 1 0.70483876 0.96068256 0.54205808 1.0
Sn Sn23 1 0.20483876 0.53931744 0.95794192 1.0
Sn Sn24 1 0.70483876 0.96068256 0.95794192 1.0
Sn Sn25 1 0.20483876 0.53931744 0.54205808 1.0
Sn Sn26 1 0.29516124 0.03931744 0.45794192 1.0
Sn Sn27 1 0.79516124 0.46068256 0.04205808 1.0
Sn Sn28 1 0.56317572 0.62037366 0.75000000 1.0
Sn Sn29 1 0.06317572 0.87962634 0.75000000 1.0
Sn Sn30 1 0.43682428 0.37962634 0.25000000 1.0
Sn Sn31 1 0.93682428 0.12037366 0.25000000 1.0
Sn Sn32 1 0.32709672 0.14397698 0.75000000 1.0
Sn Sn33 1 0.82709672 0.35602302 0.75000000 1.0
Sn Sn34 1 0.67290328 0.85602302 0.25000000 1.0
Sn Sn35 1 0.17290328 0.64397698 0.25000000 1.0
