Dy4Zn4Ir3Pt

High-Entropy Materials HEA

MP-ID: mp-3294841 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Dy4Zn4Ir3Pt

MP-ID

mp-3294841

Elements

Sites

Density

12.3518

g/cm³

Volume

226.31

Å³

Cell a

4.0901

Cell b

6.8884

Cell c

8.0324

α Angle

90.07

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

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
16.95	5.2320	1.1	(0,1,-1)
22.13	4.0162	5.1	(0,0,2)
25.66	3.4714	25.7	(0,1,-2)
25.69	3.4678	23.6	(0,1,2)
25.87	3.4442	5.4	(0,2,0)
27.68	3.2223	27.2	(1,1,-1)
27.70	3.2209	28.2	(1,1,1)
28.18	3.1669	2.4	(0,2,-1)
28.20	3.1641	3.4	(0,2,1)
33.87	2.6466	39.6	(1,1,-2)
33.89	2.6450	40.7	(1,1,2)
34.03	2.6345	22.2	(1,2,0)
34.28	2.6160	11.8	(0,2,-2)
34.32	2.6129	11.7	(0,2,2)
35.86	2.5040	100.0	(1,2,-1)
35.88	2.5027	99.0	(1,2,1)
35.97	2.4966	17.6	(0,1,-3)
36.00	2.4946	16.1	(0,1,3)
40.26	2.2402	72.7	(1,0,3)
40.86	2.2084	8.7	(0,3,-1)
40.89	2.2070	7.9	(0,3,1)
42.42	2.1310	23.5	(1,1,-3)
42.44	2.1297	27.1	(1,1,3)
42.75	2.1151	2.2	(0,2,-3)

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Energy Properties

Formation Energy/atom

-0.86873

eV/atom

Energy/atom

-31.88001

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.8800

eV/atom

Volume/atom

18.86

Å³

c/a Ratio

1.9639

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0003

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

Dy · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2861

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6923

J/mol·K

Ω Parameter

2.1470

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.604%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4101

smaller = more stable mixing

VEC

10.417

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.196

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9277

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmar

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294841

Reference Citation

The crystal structure and related material properties of Dy4Zn4Ir3Pt were obtained from the Materials Project database (MP-ID: mp-3294841, 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_Dy4Zn4Ir3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09007465
_cell_length_b   6.88844373
_cell_length_c   8.03239933
_cell_angle_alpha   90.06815921
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4Zn4Ir3Pt
_chemical_formula_sum   'Dy4 Zn4 Ir3 Pt1'
_cell_volume   226.30665954
_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  0.25000000  0.03129129  0.31941776  1.0
  Dy  Dy1  1  0.25000000  0.54005403  0.18525070  1.0
  Dy  Dy2  1  0.75000000  0.96493370  0.68384518  1.0
  Dy  Dy3  1  0.75000000  0.46872620  0.81136939  1.0
  Zn  Zn4  1  0.25000000  0.64140561  0.56517056  1.0
  Zn  Zn5  1  0.25000000  0.13947248  0.93219114  1.0
  Zn  Zn6  1  0.75000000  0.35962453  0.43774350  1.0
  Zn  Zn7  1  0.75000000  0.85514763  0.06558341  1.0
  Ir  Ir8  1  0.25000000  0.25812897  0.62010088  1.0
  Ir  Ir9  1  0.25000000  0.75807869  0.88134754  1.0
  Ir  Ir10  1  0.75000000  0.74169445  0.37962956  1.0
  Pt  Pt11  1  0.75000000  0.24144243  0.11835138  1.0

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