Ho5GePb3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296089 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ho5GePb3

MP-ID

mp-3296089

Elements

Sites

Density

10.4824

g/cm³

Volume

481.22

Å³

Cell a

9.2172

Cell b

9.2172

Cell c

6.5405

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
11.08	7.9824	1.4	(1,0,-1,0)
23.62	3.7673	4.8	(2,-1,-1,1)
27.27	3.2703	19.0	(0,0,0,2)
29.52	3.0262	2.2	(1,0,-1,2)
29.52	3.0262	1.1	(0,1,-1,2)
29.61	3.0171	14.6	(3,-1,-2,0)
32.69	2.7396	100.0	(3,-1,-2,1)
33.60	2.6670	95.6	(2,-1,-1,2)
33.68	2.6608	59.5	(3,0,-3,0)
35.49	2.5296	6.1	(2,0,-2,2)
39.09	2.3043	1.1	(4,-2,-2,0)
40.69	2.2175	1.7	(3,-1,-2,2)
40.76	2.2139	1.8	(3,1,-4,0)
41.55	2.1734	7.0	(4,-2,-2,1)
43.14	2.0970	23.3	(4,-1,-3,1)
43.87	2.0639	1.3	(3,0,-3,2)
45.45	1.9956	1.7	(4,0,-4,0)
48.32	1.8837	20.7	(4,-2,-2,2)
51.73	1.7671	27.9	(3,-1,-2,3)
51.85	1.7635	9.9	(5,-2,-3,1)
52.54	1.7419	6.8	(5,-1,-4,0)
53.82	1.7035	6.3	(4,0,-4,2)
56.26	1.6351	12.0	(0,0,0,4)
57.70	1.5978	1.4	(5,-2,-3,2)

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Energy Properties

Formation Energy/atom

-0.78444

eV/atom

Energy/atom

-39.35490

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.3549

eV/atom

Volume/atom

26.73

Å³

c/a Ratio

0.7096

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.3163

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000660

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

7.6215

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.274%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5152

smaller = more stable mixing

VEC

7.889

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.327

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)

aaahfnwr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296089

Reference Citation

The crystal structure and related material properties of Ho5GePb3 were obtained from the Materials Project database (MP-ID: mp-3296089, 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_Ho5GePb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21724468
_cell_length_b   9.21724418
_cell_length_c   6.54053536
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000179
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5GePb3
_chemical_formula_sum   'Ho10 Ge2 Pb6'
_cell_volume   481.22272881
_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  0.25026532  0.00000000  0.75000000  1.0
  Ho  Ho1  1  0.74973468  0.00000000  0.25000000  1.0
  Ho  Ho2  1  1.00000000  0.25026532  0.75000000  1.0
  Ho  Ho3  1  0.00000000  0.74973468  0.25000000  1.0
  Ho  Ho4  1  0.74973468  0.74973468  0.75000000  1.0
  Ho  Ho5  1  0.25026532  0.25026532  0.25000000  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
  Ge  Ge10  1  0.00000000  0.00000000  0.50000000  1.0
  Ge  Ge11  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb12  1  0.60571927  0.00000000  0.75000000  1.0
  Pb  Pb13  1  0.39428073  0.00000000  0.25000000  1.0
  Pb  Pb14  1  1.00000000  0.60571927  0.75000000  1.0
  Pb  Pb15  1  0.00000000  0.39428073  0.25000000  1.0
  Pb  Pb16  1  0.39428073  0.39428073  0.75000000  1.0
  Pb  Pb17  1  0.60571927  0.60571927  0.25000000  1.0

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