Dy2Al3Si2Pt3
High-Entropy Materials HEAMP-ID: mp-3296970 · Space group: Ibam (#72)
Basic Information
Formula
Dy2Al3Si2Pt3
MP-ID
mp-3296970
Elements
4
Sites
20
Density
9.8224
g/cm³
Volume
354.13
ų
Cell a
8.2948
Å
Cell b
8.2948
Å
Cell c
8.2948
Å
α Angle
138.18
°
β Angle
101.71
°
γ Angle
92.97
°
Space Group
Ibam
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 15.51 | 5.7116 | 10.1 | (1,1,-1) |
| 16.93 | 5.2363 | 4.6 | (1,-1,1) |
| 23.04 | 3.8597 | 17.3 | (2,0,0) |
| 23.99 | 3.7097 | 47.0 | (1,-2,1) |
| 24.88 | 3.5785 | 52.9 | (2,1,-1) |
| 26.70 | 3.3385 | 47.2 | (2,-1,1) |
| 30.19 | 2.9602 | 31.9 | (1,-1,-1) |
| 31.32 | 2.8558 | 27.9 | (2,2,-2) |
| 32.39 | 2.7639 | 46.9 | (1,0,-2) |
| 32.78 | 2.7321 | 12.3 | (0,3,-2) |
| 33.68 | 2.6608 | 65.4 | (1,-3,2) |
| 33.68 | 2.6608 | 65.4 | (2,0,1) |
| 34.11 | 2.6282 | 8.0 | (0,2,0) |
| 34.25 | 2.6182 | 2.5 | (2,-2,2) |
| 34.81 | 2.5769 | 37.9 | (2,-2,0) |
| 34.81 | 2.5769 | 37.9 | (0,0,2) |
| 34.87 | 2.5732 | 1.5 | (3,0,0) |
| 35.82 | 2.5072 | 69.1 | (3,1,-1) |
| 37.80 | 2.3800 | 4.2 | (3,-1,1) |
| 38.32 | 2.3489 | 6.1 | (3,-1,-1) |
| 40.41 | 2.2321 | 10.9 | (3,2,-2) |
| 43.95 | 2.0602 | 6.2 | (3,-2,2) |
| 44.06 | 2.0553 | 100.0 | (1,3,-1) |
| 45.97 | 1.9742 | 13.3 | (1,4,-3) |
Energy Properties
Formation Energy/atom
-1.15526
eV/atom
Energy/atom
-26.77232
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.7723
eV/atom
Volume/atom
17.71
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0011
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
Al · 0.300
Element Family
PostTransition-Noble
Solute Fraction
0.700
Interstitial Fraction
0.200
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3662
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.3582
J/mol·K
Ω Parameter
0.8041
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.985%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3862
smaller = more stable mixing
VEC
6.700
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-22.118
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9855
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296970
Reference Citation
The crystal structure and related material properties of Dy2Al3Si2Pt3 were obtained from the Materials Project database (MP-ID: mp-3296970, 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_Dy2Al3Si2Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.29481057
_cell_length_b 8.29481090
_cell_length_c 8.29481020
_cell_angle_alpha 138.18345713
_cell_angle_beta 101.71131846
_cell_angle_gamma 92.96556408
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy2Al3Si2Pt3
_chemical_formula_sum 'Dy4 Al6 Si4 Pt6'
_cell_volume 354.12943999
_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
Dy Dy0 1 0.87271430 0.62953149 0.24318481 1.0
Dy Dy1 1 0.12728570 0.37046851 0.75681519 1.0
Dy Dy2 1 0.38634668 0.12953149 0.25681519 1.0
Dy Dy3 1 0.61365332 0.87046851 0.74318481 1.0
Al Al4 1 0.50000000 0.75000000 0.25000000 1.0
Al Al5 1 0.50000000 0.25000000 0.75000000 1.0
Al Al6 1 0.24104865 0.99104865 0.75000000 1.0
Al Al7 1 0.75895135 0.50895135 0.75000000 1.0
Al Al8 1 0.75895135 0.00895135 0.25000000 1.0
Al Al9 1 0.24104865 0.49104865 0.25000000 1.0
Si Si10 1 0.03430433 0.88925317 0.14505116 1.0
Si Si11 1 0.96569567 0.11074683 0.85494884 1.0
Si Si12 1 0.74420200 0.38925317 0.35494884 1.0
Si Si13 1 0.25579800 0.61074683 0.64505116 1.0
Pt Pt14 1 0.00000000 0.75000000 0.75000000 1.0
Pt Pt15 1 0.00000000 0.25000000 0.25000000 1.0
Pt Pt16 1 0.23636935 0.86862836 0.36774299 1.0
Pt Pt17 1 0.76363065 0.13137164 0.63225701 1.0
Pt Pt18 1 0.50088637 0.36862836 0.13225701 1.0
Pt Pt19 1 0.49911363 0.63137164 0.86774299 1.0
