Dy3Zn2Ga7Pd2

High-Entropy Materials HEA

MP-ID: mp-3294493 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Dy3Zn2Ga7Pd2

MP-ID

mp-3294493

Elements

Sites

Density

8.8466

g/cm³

Volume

247.62

Å³

Cell a

4.2444

Cell b

8.0687

Cell c

8.1094

α Angle

70.28

β Angle

74.83

γ Angle

74.75

Space Group

C2/m

Point Group

2/m

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
11.81	7.4943	1.6	(0,0,1)
19.06	4.6561	4.3	(0,1,-1)
22.11	4.0200	1.9	(1,0,0)
23.03	3.8622	31.6	(1,1,0)
23.29	3.8189	3.3	(0,1,2)
23.39	3.8028	1.7	(0,2,1)
23.75	3.7472	2.5	(0,0,2)
23.88	3.7270	2.5	(0,2,0)
29.33	3.0456	1.3	(1,1,-1)
29.33	3.0456	1.3	(1,0,2)
29.38	3.0401	6.0	(1,2,0)
29.61	3.0170	3.0	(0,1,-2)
29.69	3.0090	4.6	(0,2,-1)
30.02	2.9770	23.7	(1,-1,-1)
34.42	2.6058	19.1	(0,1,3)
34.60	2.5923	25.0	(0,3,1)
35.73	2.5127	57.2	(1,0,-2)
35.73	2.5127	57.2	(1,1,3)
35.84	2.5055	56.9	(1,2,-1)
35.87	2.5036	100.0	(1,-2,0)
35.95	2.4981	36.7	(0,0,3)
36.15	2.4847	30.5	(0,3,0)
36.90	2.4356	14.8	(1,-1,-2)
36.90	2.4356	14.8	(1,2,3)

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Energy Properties

Formation Energy/atom

-0.70368

eV/atom

Energy/atom

-17.83132

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.8313

eV/atom

Volume/atom

17.69

Å³

c/a Ratio

1.9106

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

Ga · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2326

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.2482

J/mol·K

Ω Parameter

0.6937

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.383%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3020

smaller = more stable mixing

VEC

6.786

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.876

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8892

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflnh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294493

Reference Citation

The crystal structure and related material properties of Dy3Zn2Ga7Pd2 were obtained from the Materials Project database (MP-ID: mp-3294493, 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_Dy3Zn2Ga7Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24442525
_cell_length_b   8.06872446
_cell_length_c   8.10941381
_cell_angle_alpha   70.28440428
_cell_angle_beta   74.82921125
_cell_angle_gamma   74.75084476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Zn2Ga7Pd2
_chemical_formula_sum   'Dy3 Zn2 Ga7 Pd2'
_cell_volume   247.62179732
_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  0.50000000  0.50000000  0.50000000  1.0
  Dy  Dy1  1  0.20203797  0.79209057  0.80383348  1.0
  Dy  Dy2  1  0.79796203  0.20790943  0.19616652  1.0
  Zn  Zn3  1  0.36221628  0.35938187  0.91618557  1.0
  Zn  Zn4  1  0.63778372  0.64061813  0.08381443  1.0
  Ga  Ga5  1  0.36011024  0.92179740  0.35798312  1.0
  Ga  Ga6  1  0.63988976  0.07820260  0.64201688  1.0
  Ga  Ga7  1  0.15479806  0.48491329  0.20549059  1.0
  Ga  Ga8  1  0.84520194  0.51508671  0.79450941  1.0
  Ga  Ga9  1  0.15511514  0.21338475  0.47638497  1.0
  Ga  Ga10  1  0.84488486  0.78661525  0.52361503  1.0
  Ga  Ga11  1  0.50000000  0.00000000  0.00000000  1.0
  Pd  Pd12  1  0.99618689  0.82543939  0.18218783  1.0
  Pd  Pd13  1  0.00381311  0.17456061  0.81781217  1.0

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