Ho10AgPPb6

High-Entropy Materials HEA

MP-ID: mp-3296796 · Space group: P-31m (#162)

Materials Project API

Basic Information

Formula

Ho10AgPPb6

MP-ID

mp-3296796

Elements

Sites

Density

10.4358

g/cm³

Volume

482.35

Å³

Cell a

6.7420

Cell b

9.0891

Cell c

9.0891

α Angle

120.00

β Angle

90.00

γ Angle

90.00

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
11.24	7.8714	1.3	(0,1,-1,0)
23.61	3.7684	6.6	(1,2,-3,-1)
26.22	3.3989	1.1	(1,2,-3,0)
26.44	3.3710	19.9	(2,0,-2,0)
28.81	3.0988	3.6	(2,1,-3,0)
30.04	2.9751	14.3	(0,3,-3,-1)
32.91	2.7219	98.7	(1,3,-4,-1)
33.09	2.7075	100.0	(2,2,-4,-1)
34.17	2.6238	58.6	(0,3,-3,0)
35.05	2.5602	6.5	(2,2,-4,0)
40.44	2.2306	2.4	(2,3,-5,-1)
41.36	2.1831	1.8	(0,4,-4,-1)
41.96	2.1533	7.5	(1,4,-5,-2)
43.58	2.0770	22.1	(1,4,-5,-1)
43.72	2.0705	1.5	(2,3,-5,0)
45.00	2.0145	1.5	(3,2,-5,-1)
46.13	1.9678	1.5	(0,4,-4,0)
48.30	1.8842	7.0	(2,4,-6,-2)
48.30	1.8842	14.0	(2,2,-4,2)
50.92	1.7932	26.9	(3,3,-6,-1)
52.46	1.7443	5.1	(1,5,-6,-2)
52.46	1.7443	5.1	(1,3,-4,-5)
53.34	1.7177	2.1	(0,5,-5,-1)
53.34	1.7177	4.2	(0,4,-4,1)

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Energy Properties

Formation Energy/atom

-0.81858

eV/atom

Energy/atom

-39.53426

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-39.5343

eV/atom

Volume/atom

26.80

Å³

c/a Ratio

1.3481

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.6477

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.001340

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

0.056

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

4.8445

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.498%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5207

smaller = more stable mixing

VEC

8.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.175

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7314

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfoxw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296796

Reference Citation

The crystal structure and related material properties of Ho10AgPPb6 were obtained from the Materials Project database (MP-ID: mp-3296796, 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_Ho10AgPPb6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74198182
_cell_length_b   9.08908273
_cell_length_c   9.08908151
_cell_angle_alpha   120.00000269
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho10AgPPb6
_chemical_formula_sum   'Ho10 Ag1 P1 Pb6'
_cell_volume   482.34552249
_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  0.77084453  0.74984965  0.74984965  1.0
  Ho  Ho1  1  0.22915547  0.25015035  0.25015035  1.0
  Ho  Ho2  1  0.77084453  1.00000000  0.25015035  1.0
  Ho  Ho3  1  0.22915547  0.00000000  0.74984965  1.0
  Ho  Ho4  1  0.77084453  0.25015035  0.00000000  1.0
  Ho  Ho5  1  0.22915547  0.74984965  1.00000000  1.0
  Ho  Ho6  1  0.00000000  0.66666700  0.33333300  1.0
  Ho  Ho7  1  0.00000000  0.33333300  0.66666700  1.0
  Ho  Ho8  1  0.50000000  0.33333300  0.66666700  1.0
  Ho  Ho9  1  0.50000000  0.66666700  0.33333300  1.0
  Ag  Ag10  1  0.50000000  0.00000000  0.00000000  1.0
  P  P11  1  0.00000000  0.00000000  0.00000000  1.0
  Pb  Pb12  1  0.74847537  0.39287572  0.39287572  1.0
  Pb  Pb13  1  0.25152463  0.60712428  0.60712428  1.0
  Pb  Pb14  1  0.74847537  1.00000000  0.60712428  1.0
  Pb  Pb15  1  0.25152463  0.00000000  0.39287572  1.0
  Pb  Pb16  1  0.74847537  0.60712428  0.00000000  1.0
  Pb  Pb17  1  0.25152463  0.39287572  1.00000000  1.0

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