Ho10IrPtPb6

High-Entropy Materials HEA

MP-ID: mp-3296485 · Space group: P-31m (#162)

Materials Project API

Basic Information

Formula

Ho10IrPtPb6

MP-ID

mp-3296485

Elements

Sites

Density

11.1714

g/cm³

Volume

487.52

Å³

Cell a

9.1043

Cell b

9.1043

Cell c

6.7915

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-31m

Point Group

-3m

Crystal System

Trigonal

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
11.22	7.8846	4.8	(1,0,-1,0)
19.50	4.5522	2.8	(2,-1,-1,0)
22.55	3.9423	6.7	(2,0,-2,0)
23.53	3.7813	3.8	(2,-1,-1,1)
26.24	3.3957	11.9	(0,0,0,2)
29.98	2.9801	6.0	(3,-1,-2,0)
32.82	2.7289	90.0	(3,-1,-2,1)
32.91	2.7219	100.0	(2,-1,-1,2)
34.11	2.6282	45.7	(3,0,-3,0)
34.87	2.5729	2.6	(2,0,-2,2)
39.60	2.2761	4.1	(4,-2,-2,0)
40.26	2.2399	8.9	(3,-1,-2,2)
41.86	2.1581	6.9	(4,-2,-2,1)
43.48	2.0815	18.3	(4,-1,-3,1)
46.05	1.9711	3.7	(4,0,-4,0)
48.13	1.8907	19.8	(4,-2,-2,2)
49.58	1.8385	2.1	(4,-1,-3,2)
50.45	1.8088	1.7	(5,-2,-3,0)
50.64	1.8027	26.8	(3,-1,-2,3)
52.34	1.7479	5.0	(5,-2,-3,1)
53.24	1.7206	11.5	(5,-1,-4,0)
53.77	1.7048	3.4	(4,0,-4,2)
54.01	1.6979	12.7	(0,0,0,4)
57.41	1.6051	2.7	(4,-2,-2,3)

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Energy Properties

Formation Energy/atom

-0.81966

eV/atom

Energy/atom

-43.61807

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-43.6181

eV/atom

Volume/atom

27.08

Å³

c/a Ratio

0.7460

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1269

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000260

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

1.0139

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4296

J/mol·K

Ω Parameter

8.4423

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.905%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5362

smaller = more stable mixing

VEC

8.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

1.427

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7314

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfolx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296485

Reference Citation

The crystal structure and related material properties of Ho10IrPtPb6 were obtained from the Materials Project database (MP-ID: mp-3296485, 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_Ho10IrPtPb6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.10430762
_cell_length_b   9.10430764
_cell_length_c   6.79148490
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho10IrPtPb6
_chemical_formula_sum   'Ho10 Ir1 Pt1 Pb6'
_cell_volume   487.51638842
_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  0.23984501  0.00000000  0.74304436  1.0
  Ho  Ho1  1  0.76015499  0.00000000  0.25695564  1.0
  Ho  Ho2  1  0.00000000  0.23984501  0.74304436  1.0
  Ho  Ho3  1  1.00000000  0.76015499  0.25695564  1.0
  Ho  Ho4  1  0.76015499  0.76015499  0.74304436  1.0
  Ho  Ho5  1  0.23984501  0.23984501  0.25695564  1.0
  Ho  Ho6  1  0.33333300  0.66666700  0.50000000  1.0
  Ho  Ho7  1  0.66666700  0.33333300  0.50000000  1.0
  Ho  Ho8  1  0.66666700  0.33333300  0.00000000  1.0
  Ho  Ho9  1  0.33333300  0.66666700  0.00000000  1.0
  Ir  Ir10  1  0.00000000  0.00000000  0.50000000  1.0
  Pt  Pt11  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb12  1  0.59678351  0.00000000  0.75154796  1.0
  Pb  Pb13  1  0.40321649  0.00000000  0.24845204  1.0
  Pb  Pb14  1  0.00000000  0.59678351  0.75154796  1.0
  Pb  Pb15  1  0.00000000  0.40321649  0.24845204  1.0
  Pb  Pb16  1  0.40321649  0.40321649  0.75154796  1.0
  Pb  Pb17  1  0.59678351  0.59678351  0.24845204  1.0

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