Dy9Ho(RuRh)2

High-Entropy Materials HEA

MP-ID: mp-3294462 · Space group: C2 (#5)

Materials Project API

Basic Information

Formula

Dy9Ho(RuRh)2

MP-ID

mp-3294462

Elements

Sites

Density

9.4349

g/cm³

Volume

358.23

Å³

Cell a

6.3690

Cell b

7.1766

Cell c

8.5151

α Angle

96.54

β Angle

111.96

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
11.29	7.8373	1.5	(0,0,1)
15.01	5.9005	2.6	(1,0,-1)
19.98	4.4439	16.2	(1,-1,-1)
25.01	3.5611	2.9	(0,2,0)
26.18	3.4034	1.0	(0,2,-1)
26.38	3.3787	7.5	(1,-1,-2)
28.02	3.1845	4.7	(2,0,-1)
28.67	3.1132	39.1	(1,2,-1)
28.78	3.1018	18.5	(0,2,1)
29.90	2.9884	13.0	(1,-2,-1)
30.30	2.9503	4.2	(2,0,-2)
30.76	2.9072	74.0	(2,1,-1)
31.81	2.8131	37.8	(0,2,-2)
31.82	2.8127	100.0	(1,0,-3)
31.88	2.8068	44.7	(1,2,-2)
32.30	2.7714	34.1	(2,1,-2)
32.92	2.7205	25.0	(1,1,-3)
33.41	2.6822	39.0	(2,-1,-2)
34.33	2.6125	14.5	(0,0,3)
35.14	2.5537	41.4	(1,-2,-2)
35.59	2.5228	20.9	(1,-1,-3)
35.59	2.5228	20.9	(1,1,2)
36.11	2.4877	33.4	(0,2,2)
36.35	2.4714	29.2	(2,0,-3)

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Energy Properties

Formation Energy/atom

-0.52085

eV/atom

Energy/atom

-30.50936

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.5094

eV/atom

Volume/atom

25.59

Å³

c/a Ratio

1.3370

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

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 · 0.643

Element Family

Lanthanide

Solute Fraction

0.357

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0285

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5511

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

0.4608

smaller = more stable mixing

VEC

9.643

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7419

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflmc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294462

Reference Citation

The crystal structure and related material properties of Dy9Ho(RuRh)2 were obtained from the Materials Project database (MP-ID: mp-3294462, 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_Dy9Ho(RuRh)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36903915
_cell_length_b   7.17657884
_cell_length_c   8.51506495
_cell_angle_alpha   96.54252032
_cell_angle_beta   111.96169061
_cell_angle_gamma   90.00000022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy9Ho(RuRh)2
_chemical_formula_sum   'Dy9 Ho1 Ru2 Rh2'
_cell_volume   358.22831571
_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  0.98205428  0.91522497  0.18902652  1.0
  Dy  Dy1  1  0.79302776  0.58477503  0.81097348  1.0
  Dy  Dy2  1  0.02261411  0.08743823  0.81410811  1.0
  Dy  Dy3  1  0.20850700  0.41256177  0.18589189  1.0
  Dy  Dy4  1  0.64595199  0.81548681  0.43305365  1.0
  Dy  Dy5  1  0.21289735  0.68451319  0.56694635  1.0
  Dy  Dy6  1  0.35117947  0.18737164  0.56429213  1.0
  Dy  Dy7  1  0.78688934  0.31262836  0.43570787  1.0
  Dy  Dy8  1  0.42321020  0.75000000  0.00000000  1.0
  Ho  Ho9  1  0.57477033  0.25000000  1.00000000  1.0
  Ru  Ru10  1  0.17468742  0.42776216  0.77955315  1.0
  Ru  Ru11  1  0.39513227  0.07223784  0.22044685  1.0
  Rh  Rh12  1  0.82516121  0.57327608  0.22124595  1.0
  Rh  Rh13  1  0.60391626  0.92672392  0.77875405  1.0

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