Ho5RuPb3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3295944 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ho5RuPb3

MP-ID

mp-3295944

Elements

Sites

Density

10.7210

g/cm³

Volume

479.32

Å³

Cell a

9.2099

Cell b

9.2099

Cell c

6.5250

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

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
22.29	3.9880	2.8	(2,0,-2,0)
23.65	3.7624	4.6	(2,-1,-1,1)
27.34	3.2625	15.4	(0,0,0,2)
29.58	3.0197	2.4	(1,0,-1,2)
29.63	3.0147	14.3	(3,-1,-2,0)
32.72	2.7367	100.0	(3,-1,-2,1)
33.67	2.6621	82.4	(2,-1,-1,2)
33.71	2.6587	40.1	(3,0,-3,0)
35.55	2.5252	6.5	(2,0,-2,2)
39.12	2.3025	2.5	(4,-2,-2,0)
40.75	2.2141	4.3	(3,-1,-2,2)
40.79	2.2122	3.1	(4,-1,-3,0)
41.59	2.1713	8.8	(4,-2,-2,1)
43.18	2.0950	18.8	(4,-1,-3,1)
45.49	1.9940	2.4	(4,0,-4,0)
48.39	1.8812	16.2	(4,-2,-2,2)
51.83	1.7639	27.8	(3,-1,-2,3)
51.90	1.7619	5.0	(5,-2,-3,1)
52.58	1.7405	10.0	(5,-1,-4,0)
53.89	1.7014	5.7	(4,0,-4,2)
56.41	1.6313	11.0	(0,0,0,4)
57.77	1.5959	3.4	(5,-2,-3,2)
57.80	1.5952	9.5	(5,0,-5,0)
58.36	1.5811	3.3	(4,-2,-2,3)

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Energy Properties

Formation Energy/atom

-0.63948

eV/atom

Energy/atom

-40.49356

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-40.4936

eV/atom

Volume/atom

26.63

Å³

c/a Ratio

0.7085

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

Ho · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7893

J/mol·K

Ω Parameter

2.9072

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.560%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5318

smaller = more stable mixing

VEC

8.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.894

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8528

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.563

Family

Ho-rich Multi-Component

Matrix Element

Ho · 0.556

Related Tasks

Related computation task IDs (1)

aaahfnrc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295944

Reference Citation

The crystal structure and related material properties of Ho5RuPb3 were obtained from the Materials Project database (MP-ID: mp-3295944, 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_Ho5RuPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20990237
_cell_length_b   9.20990228
_cell_length_c   6.52502061
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5RuPb3
_chemical_formula_sum   'Ho10 Ru2 Pb6'
_cell_volume   479.31670661
_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
  Ho  Ho0  1  0.00000000  0.76352048  0.75000000  1.0
  Ho  Ho1  1  0.33333300  0.66666700  0.50000000  1.0
  Ho  Ho2  1  0.76352048  0.76352048  0.25000000  1.0
  Ho  Ho3  1  0.76352048  0.00000000  0.75000000  1.0
  Ho  Ho4  1  0.23647952  0.00000000  0.25000000  1.0
  Ho  Ho5  1  0.66666700  0.33333300  0.50000000  1.0
  Ho  Ho6  1  0.23647952  0.23647952  0.75000000  1.0
  Ho  Ho7  1  0.33333300  0.66666700  0.00000000  1.0
  Ho  Ho8  1  1.00000000  0.23647952  0.25000000  1.0
  Ho  Ho9  1  0.66666700  0.33333300  0.00000000  1.0
  Ru  Ru10  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru11  1  0.00000000  0.00000000  0.50000000  1.0
  Pb  Pb12  1  0.40322034  0.40322034  0.25000000  1.0
  Pb  Pb13  1  0.59677966  0.59677966  0.75000000  1.0
  Pb  Pb14  1  0.59677966  0.00000000  0.25000000  1.0
  Pb  Pb15  1  0.40322034  0.00000000  0.75000000  1.0
  Pb  Pb16  1  0.00000000  0.59677966  0.25000000  1.0
  Pb  Pb17  1  0.00000000  0.40322034  0.75000000  1.0

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