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Y20Ir10PdPt

High-Entropy Materials HEA

MP-ID: mp-3291596 · Space group: P1 (#1)

Basic Information

Formula
Y20Ir10PdPt
MP-ID
mp-3291596
Elements
4
Sites
32
Density
8.7083
g/cm³
Volume
763.08
ų
Cell a
10.9441
Å
Cell b
10.9329
Å
Cell c
6.3776
Å
α Angle
90.00
°
β Angle
89.98
°
γ Angle
89.91
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
Triclinic P
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
8.08 10.9440 5.9 (1,0,0)
8.09 10.9328 5.3 (0,1,0)
11.43 7.7405 35.2 (1,1,0)
11.45 7.7288 16.8 (1,-1,0)
13.89 6.3776 1.6 (0,0,1)
16.08 5.5111 1.2 (1,0,1)
16.09 5.5095 1.3 (1,0,-1)
16.09 5.5089 1.4 (0,1,-1)
16.09 5.5088 1.4 (0,1,1)
16.20 5.4720 18.9 (2,0,0)
16.21 5.4664 18.6 (0,2,0)
18.02 4.9227 1.2 (1,1,1)
18.02 4.9216 1.3 (1,1,-1)
18.03 4.9197 1.5 (1,-1,1)
18.04 4.9185 1.6 (1,-1,-1)
18.13 4.8933 1.0 (1,2,0)
18.14 4.8904 1.2 (2,-1,0)
18.15 4.8874 1.1 (1,-2,0)
22.90 3.8843 52.5 (2,1,1)
22.90 3.8832 55.3 (2,1,-1)
22.91 3.8825 52.8 (1,2,1)
22.91 3.8820 54.3 (1,2,-1)
22.91 3.8813 47.7 (2,-1,1)
22.92 3.8802 50.3 (2,-1,-1)
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Energy Properties

Formation Energy/atom
-0.87040
eV/atom
Energy/atom
-32.25521
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-32.2552
eV/atom
Volume/atom
23.85
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.5332
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000700
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Y · 0.625
Element Family
4d-TM
Solute Fraction
0.375
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8738
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.2652
J/mol·K
Ω Parameter
0.2634
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.924%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4779
smaller = more stable mixing
VEC
5.313
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-57.957
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6303
SS Former
0
Phase Tendency
AM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291596
Reference Citation

The crystal structure and related material properties of Y20Ir10PdPt were obtained from the Materials Project database (MP-ID: mp-3291596, 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_Y20Ir10PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94405705
_cell_length_b   10.93285002
_cell_length_c   6.37763824
_cell_angle_alpha   90.00113676
_cell_angle_beta   89.98118949
_cell_angle_gamma   89.91338536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y20Ir10PdPt
_chemical_formula_sum   'Y20 Ir10 Pd1 Pt1'
_cell_volume   763.08180796
_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
  Y  Y0  1  0.29025955  0.08773748  0.38383215  1.0
  Y  Y1  1  0.29088751  0.91170658  0.88304892  1.0
  Y  Y2  1  0.70197787  0.08984987  0.87784007  1.0
  Y  Y3  1  0.70222231  0.90680144  0.38120965  1.0
  Y  Y4  1  0.58382429  0.79114433  0.88608700  1.0
  Y  Y5  1  0.58130864  0.20883760  0.38567326  1.0
  Y  Y6  1  0.40868100  0.79156472  0.38470837  1.0
  Y  Y7  1  0.40907000  0.20789616  0.88455084  1.0
  Y  Y8  1  0.20992260  0.41156133  0.61400761  1.0
  Y  Y9  1  0.20979734  0.58925128  0.11407521  1.0
  Y  Y10  1  0.79228177  0.41688073  0.11582756  1.0
  Y  Y11  1  0.79290969  0.58607297  0.61572355  1.0
  Y  Y12  1  0.91488278  0.70717714  0.11879542  1.0
  Y  Y13  1  0.91515731  0.29448955  0.62253124  1.0
  Y  Y14  1  0.09246911  0.70578098  0.61633906  1.0
  Y  Y15  1  0.09484085  0.29491189  0.11631108  1.0
  Y  Y16  1  0.00209500  0.99775894  0.50041451  1.0
  Y  Y17  1  0.00245007  0.00172130  0.00001266  1.0
  Y  Y18  1  0.50112452  0.49859966  0.99973457  1.0
  Y  Y19  1  0.50145720  0.50116607  0.50018676  1.0
  Ir  Ir20  1  0.15041429  0.15391374  0.74926269  1.0
  Ir  Ir21  1  0.15144101  0.84611250  0.24920103  1.0
  Ir  Ir22  1  0.65700982  0.34574576  0.74848664  1.0
  Ir  Ir23  1  0.65646542  0.65281168  0.24811418  1.0
  Ir  Ir24  1  0.34863274  0.34566327  0.25137767  1.0
  Ir  Ir25  1  0.34802440  0.65384010  0.75073060  1.0
  Ir  Ir26  1  0.49984461  0.99993823  0.13095053  1.0
  Ir  Ir27  1  0.49931858  0.99968381  0.62997598  1.0
  Ir  Ir28  1  0.00118024  0.50009368  0.86980503  1.0
  Ir  Ir29  1  0.00103135  0.49962550  0.36868286  1.0
  Pd  Pd30  1  0.84396937  0.15314596  0.25143874  1.0
  Pt  Pt31  1  0.84504377  0.84851572  0.75106556  1.0
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