HoZnPd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079329 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

HoZnPd

MP-ID

mp-1079329

Elements

Sites

Density

9.7193

g/cm³

Volume

172.61

Å³

Cell a

7.2086

Cell b

7.2086

Cell c

3.8355

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

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
14.19	6.2429	1.6	(1,0,-1,0)
23.19	3.8355	4.0	(0,0,0,1)
24.70	3.6043	5.1	(1,1,-2,0)
24.70	3.6043	10.1	(2,-1,-1,0)
27.29	3.2680	1.1	(1,0,-1,1)
28.60	3.1214	7.8	(2,0,-2,0)
28.60	3.1214	3.9	(2,-2,0,0)
34.14	2.6266	100.0	(2,-1,-1,1)
37.14	2.4210	88.0	(2,0,-2,1)
38.14	2.3596	36.0	(3,-1,-2,0)
43.49	2.0810	35.5	(3,0,-3,0)
45.11	2.0097	21.3	(3,-1,-2,1)
47.41	1.9178	23.9	(0,0,0,2)
50.65	1.8022	5.5	(4,-2,-2,0)
52.88	1.7315	15.1	(4,-1,-3,0)
54.18	1.6930	3.7	(2,-1,-1,2)
56.30	1.6340	3.6	(2,0,-2,2)
56.41	1.6311	3.4	(4,-2,-2,1)
58.49	1.5781	19.7	(4,-1,-3,1)
62.40	1.4882	5.5	(2,1,-3,2)
62.40	1.4882	11.1	(3,-1,-2,2)
65.13	1.4322	2.7	(5,-2,-3,0)
66.28	1.4102	19.9	(3,0,-3,2)
68.93	1.3623	3.8	(5,-1,-4,0)

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Energy Properties

Formation Energy/atom

-0.75657

eV/atom

Energy/atom

-4.43568

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.3633

eV/atom

Volume/atom

19.18

Å³

c/a Ratio

0.5321

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

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

Ho · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

1.1171

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.552%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3972

smaller = more stable mixing

VEC

11.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-11.596

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.333

Related Tasks

Related computation task IDs (5)

aaadnaqo aaadsqdd aaaemeke aaaeubue aaafixsy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079329

Reference Citation

The crystal structure and related material properties of HoZnPd were obtained from the Materials Project database (MP-ID: mp-1079329, 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_HoZnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20862351
_cell_length_b   7.20862351
_cell_length_c   3.83549721
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoZnPd
_chemical_formula_sum   'Ho3 Zn3 Pd3'
_cell_volume   172.60644046
_cell_formula_units_Z   3
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  0.40414031  0.40414031  -0.00000000  1.0
  Ho  Ho1  1  0.59585969  0.00000000  0.00000000  1.0
  Ho  Ho2  1  0.00000000  0.59585969  0.00000000  1.0
  Zn  Zn3  1  0.74919549  0.74919549  0.50000000  1.0
  Zn  Zn4  1  0.25080451  0.00000000  0.50000000  1.0
  Zn  Zn5  1  0.00000000  0.25080451  0.50000000  1.0
  Pd  Pd6  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Pd  Pd7  1  0.66666700  0.33333300  0.50000000  1.0
  Pd  Pd8  1  0.33333300  0.66666700  0.50000000  1.0

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