Dy2GaSiRh2

High-Entropy Materials HEA

MP-ID: mp-3294502 · Space group: P2_1/m (#11)

Materials Project API

Basic Information

Formula

Dy2GaSiRh2

MP-ID

mp-3294502

Elements

Sites

Density

9.5088

g/cm³

Volume

219.55

Å³

Cell a

4.3477

Cell b

6.9768

Cell c

7.2386

α Angle

90.61

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/m

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
12.23	7.2381	2.7	(0,0,1)
23.88	3.7270	29.7	(1,0,1)
24.12	3.6898	1.6	(1,1,0)
24.60	3.6191	4.3	(0,0,2)
25.54	3.4882	13.1	(0,2,0)
27.06	3.2949	11.0	(1,1,-1)
27.19	3.2798	7.0	(1,1,1)
27.65	3.2267	1.4	(0,1,-2)
28.28	3.1556	9.3	(0,2,-1)
32.18	2.7815	2.4	(1,0,2)
32.92	2.7208	4.1	(1,2,0)
34.62	2.5910	54.6	(1,1,-2)
34.82	2.5765	75.1	(1,1,2)
35.14	2.5538	100.0	(1,2,-1)
35.34	2.5398	65.1	(1,2,1)
35.55	2.5250	22.4	(0,2,-2)
35.95	2.4982	27.8	(0,2,2)
39.39	2.2878	21.2	(0,1,-3)
39.66	2.2727	14.7	(0,1,3)
40.62	2.2209	24.3	(0,3,-1)
40.89	2.2072	24.6	(0,3,1)
41.35	2.1835	1.5	(1,2,-2)
41.54	2.1738	69.9	(2,0,0)
41.70	2.1661	13.3	(1,2,2)

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Energy Properties

Formation Energy/atom

-1.05277

eV/atom

Energy/atom

-23.12821

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-23.1282

eV/atom

Volume/atom

18.30

Å³

c/a Ratio

1.6649

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

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

0.167

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3297

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

11.0548

J/mol·K

Ω Parameter

3.8743

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.230%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4363

smaller = more stable mixing

VEC

7.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.672

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9591

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflnq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294502

Reference Citation

The crystal structure and related material properties of Dy2GaSiRh2 were obtained from the Materials Project database (MP-ID: mp-3294502, 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_Dy2GaSiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34765560
_cell_length_b   6.97683544
_cell_length_c   7.23855758
_cell_angle_alpha   90.61200805
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2GaSiRh2
_chemical_formula_sum   'Dy4 Ga2 Si2 Rh4'
_cell_volume   219.55375606
_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  0.25000000  0.48804340  0.19012868  1.0
  Dy  Dy1  1  0.75000000  0.51195660  0.80987132  1.0
  Dy  Dy2  1  0.75000000  0.01175952  0.69190121  1.0
  Dy  Dy3  1  0.25000000  0.98824048  0.30809879  1.0
  Ga  Ga4  1  0.25000000  0.80260034  0.89816285  1.0
  Ga  Ga5  1  0.75000000  0.19739966  0.10183715  1.0
  Si  Si6  1  0.75000000  0.69718829  0.39909873  1.0
  Si  Si7  1  0.25000000  0.30281171  0.60090127  1.0
  Rh  Rh8  1  0.25000000  0.64941223  0.56195981  1.0
  Rh  Rh9  1  0.75000000  0.35058777  0.43804019  1.0
  Rh  Rh10  1  0.75000000  0.82878874  0.08520227  1.0
  Rh  Rh11  1  0.25000000  0.17121126  0.91479773  1.0

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