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PrDy3(Si5Pt3)2

High-Entropy Materials HEA

MP-ID: mp-3297134 · Space group: Cm (#8)

Basic Information

Formula
PrDy3(Si5Pt3)2
MP-ID
mp-3297134
Elements
4
Sites
20
Density
10.0788
g/cm³
Volume
342.65
ų
Cell a
8.1463
Å
Cell b
8.1494
Å
Cell c
8.1457
Å
α Angle
136.49
°
β Angle
104.59
°
γ Angle
91.35
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
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
11.80 7.5004 2.3 (0,1,-1)
15.57 5.6930 12.8 (1,1,-1)
23.73 3.7502 15.0 (0,2,-2)
23.74 3.7484 13.2 (2,0,0)
24.43 3.6437 17.4 (1,-2,1)
24.43 3.6430 16.8 (2,-1,0)
24.45 3.6403 17.7 (0,1,-2)
24.46 3.6394 16.9 (1,0,1)
25.10 3.5474 67.1 (1,2,-2)
25.11 3.5462 67.4 (2,1,-1)
27.98 3.1891 38.9 (1,-2,2)
27.99 3.1882 36.6 (2,-1,1)
29.58 3.0201 64.6 (1,-1,-1)
31.43 2.8465 52.3 (2,2,-2)
31.94 2.8023 32.5 (1,-2,0)
31.94 2.8021 29.2 (2,-1,-1)
31.95 2.8007 32.0 (1,0,-2)
31.96 2.8005 29.0 (0,1,1)
33.16 2.7018 2.3 (0,3,-2)
33.17 2.7008 2.5 (3,0,-1)
33.18 2.7004 2.3 (1,2,-3)
33.19 2.6993 2.6 (2,1,0)
33.59 2.6680 10.9 (2,0,-2)
33.59 2.6679 10.8 (0,2,0)
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Energy Properties

Formation Energy/atom
-1.03199
eV/atom
Energy/atom
-27.13266
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-27.1327
eV/atom
Volume/atom
17.13
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
0.0034
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1421
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.4956
J/mol·K
Ω Parameter
1.6799
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.986%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3763
smaller = more stable mixing
VEC
6.650
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.995
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8239
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297134
Reference Citation

The crystal structure and related material properties of PrDy3(Si5Pt3)2 were obtained from the Materials Project database (MP-ID: mp-3297134, 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_PrDy3(Si5Pt3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14626665
_cell_length_b   8.14944254
_cell_length_c   8.14566219
_cell_angle_alpha   136.48564044
_cell_angle_beta   104.58528076
_cell_angle_gamma   91.35170116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrDy3(Si5Pt3)2
_chemical_formula_sum   'Pr1 Dy3 Si10 Pt6'
_cell_volume   342.65233367
_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
  Pr  Pr0  1  0.60324198  0.87127436  0.73247488  1.0
  Dy  Dy1  1  0.85837575  0.62976545  0.22932483  1.0
  Dy  Dy2  1  0.14127796  0.37042160  0.77022324  1.0
  Dy  Dy3  1  0.39918351  0.12896024  0.26952466  1.0
  Si  Si4  1  0.49948156  0.75156446  0.25074509  1.0
  Si  Si5  1  0.49982252  0.24899220  0.74802948  1.0
  Si  Si6  1  0.22760163  0.97772720  0.74868082  1.0
  Si  Si7  1  0.77096083  0.52083531  0.75050742  1.0
  Si  Si8  1  0.77111815  0.02085989  0.25035273  1.0
  Si  Si9  1  0.22769559  0.47886062  0.24948733  1.0
  Si  Si10  1  0.03633104  0.88686089  0.14935512  1.0
  Si  Si11  1  0.96693773  0.11620750  0.85096483  1.0
  Si  Si12  1  0.73707796  0.38682394  0.34972360  1.0
  Si  Si13  1  0.26136845  0.61119819  0.65066998  1.0
  Pt  Pt14  1  0.00111016  0.74993954  0.75048035  1.0
  Pt  Pt15  1  0.00118943  0.25073415  0.25108286  1.0
  Pt  Pt16  1  0.24841063  0.86298501  0.38561084  1.0
  Pt  Pt17  1  0.75201128  0.13867571  0.61323871  1.0
  Pt  Pt18  1  0.47477895  0.36325645  0.11174948  1.0
  Pt  Pt19  1  0.52202388  0.63405928  0.88777675  1.0
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