Dy2Al9Pt2Rh

High-Entropy Materials HEA

MP-ID: mp-3294553 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Dy2Al9Pt2Rh

MP-ID

mp-3294553

Elements

Sites

Density

7.5865

g/cm³

Volume

464.43

Å³

Cell a

7.5585

Cell b

7.5585

Cell c

9.3581

α Angle

90.00

β Angle

90.00

γ Angle

119.69

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
13.55	6.5358	23.4	(1,-1,0,0)
16.49	5.3749	14.8	(1,0,-1,1)
18.97	4.6790	9.8	(0,0,0,2)
23.34	3.8105	11.3	(1,0,-1,2)
23.43	3.7967	12.1	(1,1,-2,0)
23.54	3.7792	25.5	(2,-1,-1,0)
25.32	3.5182	12.7	(1,1,-2,1)
25.42	3.5042	28.0	(2,-1,-1,1)
27.29	3.2679	6.2	(2,-2,0,0)
28.82	3.0979	7.2	(2,0,-2,1)
30.32	2.9482	52.7	(1,1,-2,2)
30.40	2.9400	100.0	(2,-1,-1,2)
31.76	2.8176	4.0	(1,0,-1,3)
33.34	2.6874	11.2	(2,0,-2,2)
33.45	2.6792	3.9	(2,-2,0,2)
36.15	2.4850	8.1	(2,1,-3,0)
37.31	2.4102	16.3	(1,1,-2,3)
37.38	2.4057	34.2	(2,-1,-1,3)
37.57	2.3943	3.9	(3,-1,-2,1)
37.57	2.3943	3.9	(1,-3,2,1)
37.64	2.3899	2.3	(3,-2,-1,1)
38.48	2.3395	33.0	(0,0,0,4)
39.87	2.2613	3.5	(2,0,-2,3)
40.97	2.2027	2.7	(1,-1,0,4)

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Energy Properties

Formation Energy/atom

-0.95716

eV/atom

Energy/atom

-18.93317

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.9332

eV/atom

Volume/atom

16.59

Å³

c/a Ratio

1.2381

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0021

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.643

Element Family

PostTransition-Noble

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0285

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5511

J/mol·K

Ω Parameter

0.5551

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.173%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3320

smaller = more stable mixing

VEC

5.429

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-19.893

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7419

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflpp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294553

Reference Citation

The crystal structure and related material properties of Dy2Al9Pt2Rh were obtained from the Materials Project database (MP-ID: mp-3294553, 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_Dy2Al9Pt2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55849370
_cell_length_b   7.55849321
_cell_length_c   9.35807892
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.69454890
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Al9Pt2Rh
_chemical_formula_sum   'Dy4 Al18 Pt4 Rh2'
_cell_volume   464.42579495
_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  0.99395801  0.66701793  0.25000000  1.0
  Dy  Dy1  1  0.00604199  0.33298207  0.75000000  1.0
  Dy  Dy2  1  0.66701793  0.99395801  0.25000000  1.0
  Dy  Dy3  1  0.33298207  0.00604199  0.75000000  1.0
  Al  Al4  1  0.12426977  0.12426977  0.25000000  1.0
  Al  Al5  1  0.87573023  0.87573023  0.75000000  1.0
  Al  Al6  1  0.00039908  0.33006607  0.07541524  1.0
  Al  Al7  1  0.99960092  0.66993393  0.92458476  1.0
  Al  Al8  1  0.99960092  0.66993393  0.57541524  1.0
  Al  Al9  1  0.33006607  0.00039908  0.42458476  1.0
  Al  Al10  1  0.00039908  0.33006607  0.42458476  1.0
  Al  Al11  1  0.66993393  0.99960092  0.57541524  1.0
  Al  Al12  1  0.66993393  0.99960092  0.92458476  1.0
  Al  Al13  1  0.33006607  0.00039908  0.07541524  1.0
  Al  Al14  1  0.32976859  0.32976859  0.55407133  1.0
  Al  Al15  1  0.67023141  0.67023141  0.44592867  1.0
  Al  Al16  1  0.67023141  0.67023141  0.05407133  1.0
  Al  Al17  1  0.32976859  0.32976859  0.94592867  1.0
  Al  Al18  1  0.33973156  0.54430396  0.25000000  1.0
  Al  Al19  1  0.66026844  0.45569604  0.75000000  1.0
  Al  Al20  1  0.54430396  0.33973156  0.25000000  1.0
  Al  Al21  1  0.45569604  0.66026844  0.75000000  1.0
  Pt  Pt22  1  0.67260934  0.32739066  0.00000000  1.0
  Pt  Pt23  1  0.32739066  0.67260934  0.00000000  1.0
  Pt  Pt24  1  0.32739066  0.67260934  0.50000000  1.0
  Pt  Pt25  1  0.67260934  0.32739066  0.50000000  1.0
  Rh  Rh26  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh27  1  0.00000000  0.00000000  0.50000000  1.0

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