Dy2AlNi2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1070646 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Dy2AlNi2

MP-ID

mp-1070646

Elements

Sites

Density

8.4830

g/cm³

Volume

91.88

Å³

Cell a

5.3352

Cell b

5.3352

Cell c

5.3352

α Angle

134.06

β Angle

119.70

γ Angle

79.00

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
19.77	4.4916	13.6	(1,0,0)
21.59	4.1169	9.8	(1,1,-1)
27.12	3.2883	78.5	(0,0,1)
33.44	2.6796	14.2	(1,-1,1)
34.92	2.5693	100.0	(1,1,0)
36.79	2.4429	30.8	(2,1,-1)
39.32	2.2916	46.8	(1,2,-1)
40.15	2.2458	48.2	(2,0,0)
41.55	2.1735	39.5	(1,0,1)
43.46	2.0822	32.6	(1,-1,-1)
43.99	2.0584	10.8	(2,2,-2)
48.17	1.8891	2.8	(0,1,1)
49.03	1.8581	2.6	(0,2,0)
52.44	1.7448	2.3	(2,2,-1)
52.55	1.7416	3.1	(2,1,0)
55.92	1.6442	6.9	(0,0,2)
56.01	1.6417	15.3	(1,-1,2)
58.22	1.5847	16.4	(1,2,0)
58.65	1.5741	11.1	(3,2,-2)
60.45	1.5314	5.3	(2,3,-2)
60.65	1.5269	28.0	(1,1,1)
60.73	1.5249	13.6	(2,0,1)
61.98	1.4972	9.9	(3,0,0)
63.56	1.4639	6.9	(1,3,-1)

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Energy Properties

Formation Energy/atom

-0.53778

eV/atom

Energy/atom

-5.44630

eV/atom

Energy above Hull

0.0035

eV/atom

Uncorrected Energy

-19.4837

eV/atom

Volume/atom

18.38

Å³

c/a Ratio

1.0000

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 · 0.400

Element Family

Lanthanide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

1.9309

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.490%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3091

smaller = more stable mixing

VEC

8.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.040

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.466

Family

Dy-rich Multi-Component

Matrix Element

Dy · 0.400

Related Tasks

Related computation task IDs (5)

aaacixzr aaaekumt aaaeurmf aaafagag aaafsciw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1070646

Reference Citation

The crystal structure and related material properties of Dy2AlNi2 were obtained from the Materials Project database (MP-ID: mp-1070646, 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…

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Raw CIF Data

# generated using pymatgen
data_Dy2AlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33520150
_cell_length_b   5.33520150
_cell_length_c   5.33520150
_cell_angle_alpha   134.05716590
_cell_angle_beta   119.70263799
_cell_angle_gamma   78.99618272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2AlNi2
_chemical_formula_sum   'Dy2 Al1 Ni2'
_cell_volume   91.87849350
_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  0.70321547  0.20321547  0.50000000  1.0
  Dy  Dy1  1  0.29678453  0.79678453  0.50000000  1.0
  Al  Al2  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Ni  Ni3  1  0.26774348  0.50000000  0.76774348  1.0
  Ni  Ni4  1  0.73225652  0.50000000  0.23225652  1.0

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