Yb2Dy3Ir2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292990 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Yb2Dy3Ir2

MP-ID

mp-3292990

Elements

Sites

Density

11.1948

g/cm³

Volume

361.34

Å³

Cell a

6.4738

Cell b

7.2213

Cell c

8.4444

α Angle

97.10

β Angle

112.54

γ Angle

90.00

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

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
11.45	7.7293	6.9	(0,0,1)
14.84	5.9713	9.0	(1,0,-1)
18.86	4.7060	2.1	(1,1,-1)
19.85	4.4726	94.0	(1,1,0)
22.05	4.0317	1.1	(1,0,-2)
23.01	3.8647	15.1	(0,0,2)
24.18	3.6812	13.3	(1,1,-2)
26.00	3.4265	1.4	(0,2,-1)
26.49	3.3653	2.3	(1,-1,-2)
28.41	3.1417	37.4	(1,2,-1)
28.86	3.0933	9.4	(0,2,1)
29.76	3.0017	16.8	(1,2,0)
29.93	2.9857	5.1	(2,0,-2)
30.31	2.9493	72.7	(2,1,-1)
31.65	2.8271	63.1	(1,2,-2)
31.73	2.8204	65.8	(0,2,-2)
31.88	2.8075	36.8	(2,1,-2)
31.88	2.8075	36.8	(2,-1,0)
32.08	2.7899	100.0	(1,0,-3)
33.02	2.7125	22.7	(1,1,-3)
33.10	2.7063	83.1	(2,1,0)
34.82	2.5765	28.6	(0,0,3)
35.23	2.5471	77.6	(1,2,1)
35.93	2.4993	42.7	(1,-1,-3)

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Energy Properties

Formation Energy/atom

-0.75692

eV/atom

Energy/atom

-39.86018

eV/atom

Energy above Hull

0.0008

eV/atom

Uncorrected Energy

-39.8602

eV/atom

Volume/atom

25.81

Å³

c/a Ratio

1.3044

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0113

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.429

Element Family

Lanthanide

Solute Fraction

0.571

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0790

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.9707

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.752%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4671

smaller = more stable mixing

VEC

10.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9821

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 · 0.429

Related Tasks

Related computation task IDs (1)

aaahfjhm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292990

Reference Citation

The crystal structure and related material properties of Yb2Dy3Ir2 were obtained from the Materials Project database (MP-ID: mp-3292990, 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_Yb2Dy3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47382706
_cell_length_b   7.22125801
_cell_length_c   8.44441823
_cell_angle_alpha   97.09526335
_cell_angle_beta   112.53948137
_cell_angle_gamma   89.99999584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2Dy3Ir2
_chemical_formula_sum   'Yb4 Dy6 Ir4'
_cell_volume   361.34008122
_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
  Yb  Yb0  1  0.79633780  0.08409247  0.81839018  1.0
  Yb  Yb1  1  0.97794862  0.41590753  0.18160982  1.0
  Yb  Yb2  1  0.20366220  0.91590753  0.18160982  1.0
  Yb  Yb3  1  0.02205138  0.58409247  0.81839018  1.0
  Dy  Dy4  1  0.21148142  0.18125123  0.56196646  1.0
  Dy  Dy5  1  0.64951496  0.31874877  0.43803354  1.0
  Dy  Dy6  1  0.78851858  0.81874877  0.43803354  1.0
  Dy  Dy7  1  0.35048504  0.68125123  0.56196646  1.0
  Dy  Dy8  1  0.43137893  0.25000000  0.00000000  1.0
  Dy  Dy9  1  0.56862107  0.75000000  1.00000000  1.0
  Ir  Ir10  1  0.59149655  0.42746948  0.77318034  1.0
  Ir  Ir11  1  0.81831622  0.07253052  0.22681966  1.0
  Ir  Ir12  1  0.40850345  0.57253052  0.22681966  1.0
  Ir  Ir13  1  0.18168378  0.92746948  0.77318034  1.0

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