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Dy(SiPt)2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-3148 · Space group: I4/mmm (#139)

Basic Information

Formula
Dy(SiPt)2
MP-ID
mp-3148
Elements
3
Sites
5
Density
11.6453
g/cm³
Volume
86.82
ų
Cell a
5.7578
Å
Cell b
5.7578
Å
Cell c
5.7578
Å
α Angle
137.28
°
β Angle
137.28
°
γ Angle
62.01
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
17.97 4.9352 20.4 (1,1,-1)
23.04 3.8602 13.1 (1,0,-1)
30.13 2.9657 6.8 (1,-1,0)
34.65 2.5887 13.3 (2,1,-2)
35.31 2.5421 100.0 (2,0,-1)
36.41 2.4676 18.2 (2,2,-2)
43.14 2.0971 34.4 (1,-1,1)
47.08 1.9301 7.2 (2,0,-2)
47.96 1.8969 11.0 (3,1,-2)
49.46 1.8427 3.7 (2,-1,-1)
51.14 1.7861 5.0 (3,2,-3)
55.89 1.6451 1.3 (3,3,-3)
56.47 1.6295 6.5 (3,0,-2)
57.69 1.5980 19.7 (3,1,-3)
62.65 1.4829 11.5 (2,-2,0)
64.81 1.4386 16.2 (3,3,-4)
65.76 1.4202 2.7 (3,-1,-1)
69.08 1.3598 4.1 (4,1,-3)
71.08 1.3263 1.3 (2,-2,1)
73.11 1.2943 2.4 (4,2,-4)
73.62 1.2867 1.5 (3,0,-3)
74.01 1.2809 23.8 (3,-1,-2)
74.68 1.2710 9.2 (4,0,-2)
77.34 1.2338 3.1 (4,4,-4)
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Energy Properties

Formation Energy/atom
-1.02465
eV/atom
Energy/atom
-6.54690
eV/atom
Energy above Hull
0.0590
eV/atom
Uncorrected Energy
-6.5469
eV/atom
Volume/atom
17.36
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
0.0010
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
145.085
GPa
GVRH
12.014
GPa
Young's Modulus E
35.074
GPa
Poisson Ratio ν
0.460
Pugh Ratio K/G
12.076
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
-14.911
Lame λ
137.076
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.400
Element Family
Metalloid-Nonmetal
Solute Fraction
0.600
Interstitial Fraction
0.400

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0549
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7706
J/mol·K
Ω Parameter
1.5032
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.443%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3873
smaller = more stable mixing
VEC
7.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-10.661
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.402
Family
Si-rich Multi-Component
Matrix Element
Si · 0.400

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
-14.9110
Homogeneous Poisson ν
0.4600
Debye Temperature
147.7
K
Sound Velocity
1,158.8
m/s
Homogeneity
0.4600

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3148
Reference Citation

The crystal structure and related material properties of Dy(SiPt)2 were obtained from the Materials Project database (MP-ID: mp-3148, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Dy(SiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75777945
_cell_length_b   5.75777945
_cell_length_c   5.75777945
_cell_angle_alpha   137.28093993
_cell_angle_beta   137.28093993
_cell_angle_gamma   62.00607681
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy(SiPt)2
_chemical_formula_sum   'Dy1 Si2 Pt2'
_cell_volume   86.81647610
_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
  Dy  Dy0  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si1  1  0.61765900  0.61765900  0.00000000  1.0
  Si  Si2  1  0.38234100  0.38234100  0.00000000  1.0
  Pt  Pt3  1  0.75000000  0.25000000  0.50000000  1.0
  Pt  Pt4  1  0.25000000  0.75000000  0.50000000  1.0
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