Dy3Y(Al3Pt4)2

High-Entropy Materials HEA

MP-ID: mp-3296080 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Dy3Y(Al3Pt4)2

MP-ID

mp-3296080

Elements

Sites

Density

11.9914

g/cm³

Volume

318.36

Å³

Cell a

8.0930

Cell b

8.0930

Cell c

7.5450

α Angle

89.97

β Angle

90.03

γ Angle

139.89

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

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
11.64	7.6023	5.4	(1,-1,0)
11.73	7.5450	1.3	(0,0,1)
16.55	5.3566	3.2	(1,-1,-1)
16.56	5.3540	4.2	(1,-1,1)
17.01	5.2137	1.1	(1,0,0)
23.40	3.8012	9.5	(2,-2,0)
23.58	3.7725	1.2	(0,0,2)
26.25	3.3954	24.0	(2,-2,-1)
26.26	3.3940	17.9	(2,-2,1)
26.37	3.3800	24.8	(1,-1,-2)
26.38	3.3787	32.8	(1,-1,2)
26.58	3.3533	10.3	(1,-2,-1)
26.58	3.3533	10.3	(2,-1,-1)
26.59	3.3523	15.9	(2,-1,1)
29.22	3.0566	1.2	(1,0,-2)
32.26	2.7751	6.9	(1,1,0)
33.46	2.6783	2.7	(2,-2,-2)
33.47	2.6770	3.7	(2,-2,2)
33.73	2.6574	13.2	(2,-1,-2)
33.74	2.6564	14.6	(2,-1,2)
34.40	2.6068	26.0	(2,0,0)
35.42	2.5341	1.6	(3,-3,0)
35.70	2.5148	55.1	(3,-2,-1)
35.71	2.5141	26.8	(2,-3,1)

Get direct link

Energy Properties

Formation Energy/atom

-1.28019

eV/atom

Energy/atom

-32.86649

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-32.8665

eV/atom

Volume/atom

17.69

Å³

c/a Ratio

0.9323

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0038

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.444

Element Family

5d-TM

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1858

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.8589

J/mol·K

Ω Parameter

0.4288

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.034%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4344

smaller = more stable mixing

VEC

7.278

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-36.747

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8554

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnwi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296080

Reference Citation

The crystal structure and related material properties of Dy3Y(Al3Pt4)2 were obtained from the Materials Project database (MP-ID: mp-3296080, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Dy3Y(Al3Pt4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09299682
_cell_length_b   8.09299756
_cell_length_c   7.54503044
_cell_angle_alpha   89.97373743
_cell_angle_beta   90.02626198
_cell_angle_gamma   139.89297126
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Y(Al3Pt4)2
_chemical_formula_sum   'Dy3 Y1 Al6 Pt8'
_cell_volume   318.35539591
_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  0.39392678  0.60607322  0.09145067  1.0
  Dy  Dy1  1  0.89384224  0.10615776  0.40863519  1.0
  Dy  Dy2  1  0.10602747  0.89397253  0.59113994  1.0
  Y  Y3  1  0.60631081  0.39368919  0.90836833  1.0
  Al  Al4  1  0.49994357  0.50005643  0.50032020  1.0
  Al  Al5  1  0.00026392  0.99973608  0.99985199  1.0
  Al  Al6  1  0.52114712  0.97854455  0.74975892  1.0
  Al  Al7  1  0.97874319  0.52129245  0.24989932  1.0
  Al  Al8  1  0.47870755  0.02125681  0.24989932  1.0
  Al  Al9  1  0.02145545  0.47885288  0.74975892  1.0
  Pt  Pt10  1  0.68942065  0.81102951  0.74997094  1.0
  Pt  Pt11  1  0.81069404  0.68981273  0.25067948  1.0
  Pt  Pt12  1  0.31018727  0.18930596  0.25067948  1.0
  Pt  Pt13  1  0.18897049  0.31057935  0.74997094  1.0
  Pt  Pt14  1  0.68308987  0.31691013  0.52638809  1.0
  Pt  Pt15  1  0.31693965  0.68306035  0.47306173  1.0
  Pt  Pt16  1  0.81703190  0.18296810  0.02682752  1.0
  Pt  Pt17  1  0.18329603  0.81670397  0.97333901  1.0

Get direct link