DyMgAg

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1078820 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

DyMgAg

MP-ID

mp-1078820

Elements

Sites

Density

7.0432

g/cm³

Volume

208.42

Å³

Cell a

7.5444

Cell b

7.5444

Cell c

4.2283

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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	6.5336	10.9	(1,0,-1,0)
21.01	4.2283	15.3	(0,0,0,1)
23.59	3.7722	33.4	(2,-1,-1,0)
25.09	3.5498	5.2	(1,0,-1,1)
27.30	3.2668	24.0	(2,0,-2,0)
31.79	2.8148	83.4	(2,-1,-1,1)
34.70	2.5851	100.0	(2,0,-2,1)
36.38	2.4695	15.0	(3,-1,-2,0)
36.38	2.4695	7.5	(2,1,-3,0)
41.46	2.1779	27.2	(3,0,-3,0)
42.39	2.1324	24.0	(3,-1,-2,1)
42.77	2.1142	23.5	(0,0,0,2)
45.07	2.0115	1.2	(1,0,-1,2)
48.25	1.8861	6.7	(4,-2,-2,0)
48.25	1.8861	3.3	(2,2,-4,0)
49.42	1.8443	9.1	(2,-1,-1,2)
50.36	1.8121	6.5	(4,-3,-1,0)
50.36	1.8121	13.0	(4,-1,-3,0)
51.49	1.7749	8.5	(2,0,-2,2)
53.17	1.7225	1.9	(4,-2,-2,1)
55.14	1.6656	16.3	(4,-1,-3,1)
55.14	1.6656	8.1	(3,1,-4,1)
57.37	1.6060	11.9	(3,-1,-2,2)
61.09	1.5170	16.6	(3,0,-3,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.25310

eV/atom

Energy/atom

-3.28370

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.4482

eV/atom

Volume/atom

23.16

Å³

c/a Ratio

0.5605

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

1.8780

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.928%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3156

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.222

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.333

Related Tasks

Related computation task IDs (2)

aaadsmkw aaaemkpr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1078820

Reference Citation

The crystal structure and related material properties of DyMgAg were obtained from the Materials Project database (MP-ID: mp-1078820, 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_DyMgAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54434804
_cell_length_b   7.54434804
_cell_length_c   4.22833648
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyMgAg
_chemical_formula_sum   'Dy3 Mg3 Ag3'
_cell_volume   208.42200327
_cell_formula_units_Z   3
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  0.41417517  0.41417517  0.50000000  1.0
  Dy  Dy1  1  0.58582483  -0.00000000  0.50000000  1.0
  Dy  Dy2  1  -0.00000000  0.58582483  0.50000000  1.0
  Mg  Mg3  1  0.75626171  0.75626171  -0.00000000  1.0
  Mg  Mg4  1  0.24373829  0.00000000  0.00000000  1.0
  Mg  Mg5  1  0.00000000  0.24373829  0.00000000  1.0
  Ag  Ag6  1  0.66666700  0.33333300  0.00000000  1.0
  Ag  Ag7  1  0.33333300  0.66666700  0.00000000  1.0
  Ag  Ag8  1  0.00000000  0.00000000  0.50000000  1.0

Get direct link