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DyInPt2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025525 · Space group: P6_3/mmc (#194)

Basic Information

Formula
DyInPt2
MP-ID
mp-1025525
Elements
3
Sites
8
Density
13.2946
g/cm³
Volume
166.74
ų
Cell a
4.7845
Å
Cell b
4.7845
Å
Cell c
8.4109
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
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
21.13 4.2055 13.6 (0,0,0,2)
21.45 4.1435 7.6 (1,0,-1,0)
23.94 3.7170 8.5 (1,0,-1,1)
30.28 2.9516 15.7 (1,0,-1,2)
37.60 2.3923 100.0 (2,-1,-1,0)
38.78 2.3220 78.0 (1,0,-1,3)
43.52 2.0794 12.9 (2,-1,-1,2)
43.69 2.0718 1.2 (2,0,-2,0)
45.07 2.0116 1.1 (2,0,-2,1)
48.55 1.8751 11.5 (1,0,-1,4)
49.02 1.8585 4.1 (2,0,-2,2)
55.12 1.6662 9.4 (2,-2,0,3)
55.12 1.6662 18.8 (2,0,-2,3)
60.09 1.5396 1.0 (3,-1,-2,1)
62.98 1.4758 5.3 (2,0,-2,4)
63.37 1.4676 2.5 (3,-1,-2,2)
63.37 1.4676 1.2 (2,1,-3,2)
66.73 1.4018 1.5 (0,0,0,6)
67.86 1.3812 5.9 (3,-3,0,0)
67.86 1.3812 11.9 (3,0,-3,0)
68.64 1.3673 19.5 (3,-1,-2,3)
68.64 1.3673 9.7 (2,1,-3,3)
70.98 1.3279 11.7 (1,0,-1,6)
71.96 1.3122 1.0 (3,-3,0,2)
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Energy Properties

Formation Energy/atom
-0.96065
eV/atom
Energy/atom
-40.34461
eV/atom
Energy above Hull
0.1369
eV/atom
Uncorrected Energy
-5.6972
eV/atom
Volume/atom
20.84
ų
c/a Ratio
1.7579

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0022
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
118.146
GPa
GVRH
1,859.482
GPa
Young's Modulus E
893.083
GPa
Poisson Ratio ν
-0.760
Pugh Ratio K/G
0.064
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-4.986
Lame λ
-1,121.509
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pt · 0.500
Element Family
5d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
5.0818
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.483%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4374
smaller = more stable mixing
VEC
8.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.633
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.377
Family
Pt-rich Multi-Component
Matrix Element
Pt · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
-4.9860
Homogeneous Poisson ν
-0.7600
Debye Temperature
1,471.2
K
Sound Velocity
12,395.3
m/s
Homogeneity
-0.7600

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1025525
Reference Citation

The crystal structure and related material properties of DyInPt2 were obtained from the Materials Project database (MP-ID: mp-1025525, 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_DyInPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78450039
_cell_length_b   4.78450039
_cell_length_c   8.41091000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyInPt2
_chemical_formula_sum   'Dy2 In2 Pt4'
_cell_volume   166.74268218
_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  0.00000000  0.00000000  0.00000000  1.0
  Dy  Dy1  1  0.00000000  0.00000000  0.50000000  1.0
  In  In2  1  0.33333300  0.66666700  0.25000000  1.0
  In  In3  1  0.66666700  0.33333300  0.75000000  1.0
  Pt  Pt4  1  0.33333300  0.66666700  0.59049500  1.0
  Pt  Pt5  1  0.66666700  0.33333300  0.40950500  1.0
  Pt  Pt6  1  0.66666700  0.33333300  0.09049500  1.0
  Pt  Pt7  1  0.33333300  0.66666700  0.90950500  1.0
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