Dy2Tm3Ir2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3292955 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

Dy2Tm3Ir2

MP-ID

mp-3292955

Elements

Sites

Density

11.4652

g/cm³

Volume

352.30

Å³

Cell a

6.4313

Cell b

7.1239

Cell c

8.3902

α Angle

96.59

β Angle

112.54

γ Angle

90.00

Space Group

C2/c

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
11.51	7.6895	5.5	(0,0,1)
14.93	5.9334	17.0	(1,0,0)
19.06	4.6558	2.6	(1,1,-1)
19.99	4.4410	100.0	(1,1,0)
23.13	3.8448	12.9	(0,0,2)
24.44	3.6421	17.5	(1,1,-2)
26.41	3.3743	2.8	(0,2,-1)
28.78	3.1025	54.7	(1,2,-1)
29.09	3.0700	10.3	(0,2,1)
30.04	2.9745	15.7	(1,2,0)
30.12	2.9667	10.0	(2,0,0)
30.54	2.9270	91.0	(2,1,-1)
32.09	2.7888	64.0	(1,2,-2)
32.16	2.7835	63.8	(2,1,-2)
32.20	2.7797	64.0	(0,2,-2)
32.26	2.7748	59.3	(1,0,2)
32.26	2.7748	59.3	(1,0,-3)
33.31	2.6899	86.9	(2,1,0)
33.34	2.6874	39.5	(1,-1,2)
35.01	2.5632	34.2	(0,0,3)
35.45	2.5319	36.5	(1,2,1)
35.45	2.5319	36.5	(1,-2,-2)
36.07	2.4898	87.0	(1,1,2)
36.42	2.4667	90.5	(2,0,1)

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Energy Properties

Formation Energy/atom

-0.78802

eV/atom

Energy/atom

-39.93737

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.9374

eV/atom

Volume/atom

25.16

Å³

c/a Ratio

1.3046

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0074

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tm · 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

0.4348

smaller = more stable mixing

VEC

11.000

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

Tm-rich Multi-Component

Matrix Element

Tm · 0.429

Related Tasks

Related computation task IDs (1)

aaahfjgd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292955

Reference Citation

The crystal structure and related material properties of Dy2Tm3Ir2 were obtained from the Materials Project database (MP-ID: mp-3292955, 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_Dy2Tm3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43132489
_cell_length_b   7.12384782
_cell_length_c   8.39020763
_cell_angle_alpha   96.58592226
_cell_angle_beta   112.53599262
_cell_angle_gamma   89.99999598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Tm3Ir2
_chemical_formula_sum   'Dy4 Tm6 Ir4'
_cell_volume   352.30244002
_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  0.97303026  0.91876568  0.18731557  1.0
  Dy  Dy1  1  0.78571369  0.58123432  0.81268443  1.0
  Dy  Dy2  1  0.02696974  0.08123432  0.81268443  1.0
  Dy  Dy3  1  0.21428631  0.41876568  0.18731557  1.0
  Tm  Tm4  1  0.64899862  0.81726926  0.43847498  1.0
  Tm  Tm5  1  0.21052264  0.68273074  0.56152502  1.0
  Tm  Tm6  1  0.35100138  0.18273074  0.56152502  1.0
  Tm  Tm7  1  0.78947736  0.31726926  0.43847498  1.0
  Tm  Tm8  1  0.43071495  0.75000000  1.00000000  1.0
  Tm  Tm9  1  0.56928505  0.25000000  0.00000000  1.0
  Ir  Ir10  1  0.82352149  0.57265484  0.22013154  1.0
  Ir  Ir11  1  0.60338995  0.92734516  0.77986846  1.0
  Ir  Ir12  1  0.17647951  0.42734516  0.77986846  1.0
  Ir  Ir13  1  0.39661005  0.07265484  0.22013154  1.0

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