Dy2Zn3Ag4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292493 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

Dy2Zn3Ag4

MP-ID

mp-3292493

Elements

Sites

Density

9.5451

g/cm³

Volume

331.48

Å³

Cell a

5.2690

Cell b

5.2690

Cell c

13.8023

α Angle

90.00

β Angle

90.00

γ Angle

120.11

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
12.83	6.9012	2.1	(0,0,0,2)
20.52	4.3281	1.4	(1,0,-1,1)
25.82	3.4506	11.8	(0,0,0,4)
27.55	3.2380	1.4	(1,0,-1,3)
27.55	3.2380	1.4	(0,1,-1,3)
32.53	2.7528	17.0	(1,-1,0,4)
32.55	2.7511	3.9	(1,0,-1,4)
34.03	2.6345	5.1	(2,-1,-1,0)
34.03	2.6345	5.1	(1,-2,1,0)
34.09	2.6301	19.3	(1,1,-2,0)
34.66	2.5878	16.5	(2,-1,-1,1)
34.66	2.5878	16.5	(1,-2,1,1)
34.72	2.5836	8.9	(1,1,-2,1)
36.51	2.4613	2.3	(2,-1,-1,2)
36.51	2.4613	2.3	(1,-2,1,2)
36.56	2.4576	6.9	(1,1,-2,2)
38.11	2.3612	34.3	(1,0,-1,5)
39.16	2.3004	25.5	(0,0,0,6)
39.41	2.2862	100.0	(2,-1,-1,3)
39.47	2.2833	29.2	(1,1,-2,3)
39.47	2.2828	3.6	(2,-2,0,0)
39.54	2.2790	3.0	(2,0,-2,0)
39.54	2.2790	3.0	(0,2,-2,0)
40.10	2.2485	5.5	(2,0,-2,1)

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Energy Properties

Formation Energy/atom

-0.34342

eV/atom

Energy/atom

-19.91219

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.9122

eV/atom

Volume/atom

18.42

Å³

c/a Ratio

2.6195

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

Ag · 0.444

Element Family

4d-TM

Solute Fraction

0.556

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0609

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.8200

J/mol·K

Ω Parameter

2.8605

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.372%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2740

smaller = more stable mixing

VEC

11.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.556

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9656

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.615

Family

Ag-rich Multi-Component

Matrix Element

Ag · 0.444

Related Tasks

Related computation task IDs (1)

aaahfioj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292493

Reference Citation

The crystal structure and related material properties of Dy2Zn3Ag4 were obtained from the Materials Project database (MP-ID: mp-3292493, 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_Dy2Zn3Ag4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26903298
_cell_length_b   5.26903180
_cell_length_c   13.80233296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.11202720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Zn3Ag4
_chemical_formula_sum   'Dy4 Zn6 Ag8'
_cell_volume   331.47707836
_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  0.80866890  0.80866890  0.12129511  1.0
  Dy  Dy1  1  0.19133110  0.19133110  0.87870489  1.0
  Dy  Dy2  1  0.80866890  0.80866890  0.37870489  1.0
  Dy  Dy3  1  0.19133110  0.19133110  0.62129511  1.0
  Zn  Zn4  1  0.18314696  0.68642992  0.75000000  1.0
  Zn  Zn5  1  0.68642992  0.18314696  0.75000000  1.0
  Zn  Zn6  1  0.68536422  0.68536422  0.75000000  1.0
  Zn  Zn7  1  0.31357008  0.81685304  0.25000000  1.0
  Zn  Zn8  1  0.81685304  0.31357008  0.25000000  1.0
  Zn  Zn9  1  0.31463578  0.31463578  0.25000000  1.0
  Ag  Ag10  1  0.15183853  0.47548987  0.07796875  1.0
  Ag  Ag11  1  0.52451013  0.84816147  0.92203125  1.0
  Ag  Ag12  1  0.47548987  0.15183853  0.07796875  1.0
  Ag  Ag13  1  0.84816147  0.52451013  0.57796875  1.0
  Ag  Ag14  1  0.47548987  0.15183853  0.42203125  1.0
  Ag  Ag15  1  0.84816147  0.52451013  0.92203125  1.0
  Ag  Ag16  1  0.52451013  0.84816147  0.57796875  1.0
  Ag  Ag17  1  0.15183853  0.47548987  0.42203125  1.0

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