Ho20Cd6PdRh

High-Entropy Materials HEA

MP-ID: mp-3292751 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Ho20Cd6PdRh

MP-ID

mp-3292751

Elements

Sites

Density

8.9941

g/cm³

Volume

772.17

Å³

Cell a

9.6101

Cell b

9.6101

Cell c

9.6545

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
14.05	6.3037	1.9	(1,0,-1,1)
21.28	4.1757	3.1	(1,0,-1,2)
28.32	3.1519	12.8	(2,0,-2,2)
28.37	3.1456	19.4	(3,-1,-2,0)
29.77	3.0016	27.5	(1,0,-1,3)
29.87	2.9909	5.8	(3,-1,-2,1)
32.27	2.7742	4.5	(3,-3,0,0)
32.27	2.7742	9.0	(3,0,-3,0)
33.61	2.6663	44.6	(3,-3,0,1)
33.61	2.6663	22.3	(3,0,-3,1)
34.02	2.6355	100.0	(3,-1,-2,2)
35.26	2.5457	40.4	(2,0,-2,3)
37.25	2.4136	11.6	(0,0,0,4)
37.43	2.4025	15.1	(4,-2,-2,0)
40.08	2.2495	5.0	(3,-1,-2,3)
40.17	2.2450	1.2	(4,-1,-3,1)
41.89	2.1568	1.3	(2,-1,-1,4)
43.34	2.0878	4.4	(2,0,-2,4)
47.59	1.9107	4.1	(4,0,-4,2)
47.63	1.9093	1.7	(5,-2,-3,0)
48.39	1.8809	2.6	(1,0,-1,5)
48.54	1.8757	2.7	(4,-3,-1,3)
48.54	1.8757	2.7	(4,-1,-3,3)
51.18	1.7848	3.9	(5,-1,-4,1)

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Energy Properties

Formation Energy/atom

-0.35614

eV/atom

Energy/atom

-29.83305

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.8331

eV/atom

Volume/atom

27.58

Å³

c/a Ratio

1.0046

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.2650

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000340

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ho · 0.714

Element Family

Lanthanide

Solute Fraction

0.286

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8084

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.7214

J/mol·K

Ω Parameter

15.5164

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.843%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2986

smaller = more stable mixing

VEC

11.107

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.655

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5832

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiyh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292751

Reference Citation

The crystal structure and related material properties of Ho20Cd6PdRh were obtained from the Materials Project database (MP-ID: mp-3292751, 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_Ho20Cd6PdRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.61009242
_cell_length_b   9.61009260
_cell_length_c   9.65450318
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho20Cd6PdRh
_chemical_formula_sum   'Ho20 Cd6 Pd1 Rh1'
_cell_volume   772.17490907
_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
  Ho  Ho0  1  0.20931004  0.79068996  0.93853472  1.0
  Ho  Ho1  1  0.20931004  0.41862008  0.93853472  1.0
  Ho  Ho2  1  0.58137992  0.79068996  0.93853472  1.0
  Ho  Ho3  1  0.79235261  0.20764739  0.05906316  1.0
  Ho  Ho4  1  0.79235261  0.58470422  0.05906316  1.0
  Ho  Ho5  1  0.41529578  0.20764739  0.05906316  1.0
  Ho  Ho6  1  0.79235261  0.20764739  0.44093684  1.0
  Ho  Ho7  1  0.79235261  0.58470422  0.44093684  1.0
  Ho  Ho8  1  0.41529578  0.20764739  0.44093684  1.0
  Ho  Ho9  1  0.20931004  0.79068996  0.56146528  1.0
  Ho  Ho10  1  0.20931004  0.41862008  0.56146528  1.0
  Ho  Ho11  1  0.58137992  0.79068996  0.56146528  1.0
  Ho  Ho12  1  0.54268533  0.45731467  0.75000000  1.0
  Ho  Ho13  1  0.54268533  0.08537067  0.75000000  1.0
  Ho  Ho14  1  0.91462933  0.45731467  0.75000000  1.0
  Ho  Ho15  1  0.45623292  0.54376708  0.25000000  1.0
  Ho  Ho16  1  0.45623292  0.91246585  0.25000000  1.0
  Ho  Ho17  1  0.08753415  0.54376708  0.25000000  1.0
  Ho  Ho18  1  0.00000000  0.00000000  0.00021165  1.0
  Ho  Ho19  1  0.00000000  0.00000000  0.49978835  1.0
  Cd  Cd20  1  0.88510103  0.11489897  0.75000000  1.0
  Cd  Cd21  1  0.88510103  0.77020305  0.75000000  1.0
  Cd  Cd22  1  0.22979695  0.11489897  0.75000000  1.0
  Cd  Cd23  1  0.11530209  0.88469791  0.25000000  1.0
  Cd  Cd24  1  0.11530209  0.23060417  0.25000000  1.0
  Cd  Cd25  1  0.76939583  0.88469791  0.25000000  1.0
  Pd  Pd26  1  0.66666700  0.33333300  0.25000000  1.0
  Rh  Rh27  1  0.33333300  0.66666700  0.75000000  1.0

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