Dy4HoRuRh

High-Entropy Materials HEA

MP-ID: mp-3295341 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Dy4HoRuRh

MP-ID

mp-3295341

Elements

Sites

Density

9.4584

g/cm³

Volume

357.76

Å³

Cell a

6.3699

Cell b

7.1721

Cell c

8.5093

α Angle

96.54

β Angle

111.98

γ Angle

90.00

Space Group

Point Group

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
11.30	7.8311	1.7	(0,0,1)
15.01	5.9006	2.8	(1,0,-1)
19.99	4.4428	16.0	(1,-1,-1)
25.02	3.5589	2.9	(0,2,0)
26.20	3.4011	1.0	(0,2,-1)
26.39	3.3771	7.4	(1,-1,-2)
28.02	3.1850	4.7	(2,0,-1)
28.69	3.1118	39.5	(1,-2,0)
28.80	3.0998	18.3	(0,2,1)
29.91	2.9870	6.6	(1,-2,-1)
29.91	2.9870	6.6	(1,2,0)
30.29	2.9503	4.1	(2,0,-2)
30.76	2.9072	74.0	(2,1,-1)
31.84	2.8110	37.8	(0,2,-2)
31.84	2.8109	100.0	(1,0,-3)
31.90	2.8053	44.3	(1,-2,1)
32.31	2.7712	34.3	(2,-1,0)
32.94	2.7188	25.0	(1,1,-3)
33.41	2.6819	38.8	(2,-1,-2)
34.35	2.6104	14.5	(0,0,3)
35.16	2.5523	41.5	(1,-2,-2)
35.61	2.5213	41.8	(1,-1,-3)
36.13	2.4860	33.5	(0,2,2)
36.36	2.4708	29.3	(2,0,-3)

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Energy Properties

Formation Energy/atom

-0.52259

eV/atom

Energy/atom

-30.57536

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.5754

eV/atom

Volume/atom

25.55

Å³

c/a Ratio

1.3359

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0027

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.571

Element Family

Lanthanide

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1537

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.5922

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.343%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4604

smaller = more stable mixing

VEC

9.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8322

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfmtx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295341

Reference Citation

The crystal structure and related material properties of Dy4HoRuRh were obtained from the Materials Project database (MP-ID: mp-3295341, 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_Dy4HoRuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36989941
_cell_length_b   7.17206139
_cell_length_c   8.50930191
_cell_angle_alpha   96.53789449
_cell_angle_beta   111.98046101
_cell_angle_gamma   90.00000204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy4HoRuRh
_chemical_formula_sum   'Dy8 Ho2 Ru2 Rh2'
_cell_volume   357.76469113
_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  0.98203428  0.91508748  0.18877877  1.0
  Dy  Dy1  1  0.79325552  0.58491252  0.81122123  1.0
  Dy  Dy2  1  0.02327764  0.08696651  0.81442862  1.0
  Dy  Dy3  1  0.20885102  0.41303349  0.18557138  1.0
  Dy  Dy4  1  0.64561253  0.81546519  0.43275270  1.0
  Dy  Dy5  1  0.21285883  0.68453481  0.56724730  1.0
  Dy  Dy6  1  0.35084260  0.18739982  0.56418680  1.0
  Dy  Dy7  1  0.78665680  0.31260018  0.43581320  1.0
  Ho  Ho8  1  0.42382876  0.75000000  0.00000000  1.0
  Ho  Ho9  1  0.57478161  0.25000000  1.00000000  1.0
  Ru  Ru10  1  0.17483891  0.42796205  0.78002369  1.0
  Ru  Ru11  1  0.39481522  0.07203795  0.21997631  1.0
  Rh  Rh12  1  0.82464047  0.57341031  0.22093565  1.0
  Rh  Rh13  1  0.60370582  0.92658969  0.77906435  1.0

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