Ho8Ge(PdPt3)6

High-Entropy Materials HEA

MP-ID: mp-3292654 · Space group: Pm (#6)

Materials Project API

Basic Information

Formula

Ho8Ge(PdPt3)6

MP-ID

mp-3292654

Elements

Sites

Density

16.2582

g/cm³

Volume

566.05

Å³

Cell a

8.2494

Cell b

8.2734

Cell c

8.2937

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Point Group

Crystal System

Monoclinic

Bravais Lattice

Stability

Yes

Packing Fraction

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
10.67	8.2937	3.1	(0,0,1)
10.69	8.2734	1.6	(0,1,0)
10.72	8.2494	3.5	(1,0,0)
15.15	5.8488	1.1	(1,0,-1)
15.17	5.8417	2.7	(1,1,0)
37.67	2.3880	100.0	(2,2,2)
37.67	2.3879	100.0	(2,2,-2)
43.65	2.0734	35.0	(0,0,4)
43.77	2.0683	34.6	(0,4,0)
43.90	2.0624	33.9	(4,0,0)
45.16	2.0078	1.2	(2,2,3)
45.16	2.0078	1.2	(2,2,-3)
45.23	2.0047	1.4	(3,2,2)
45.23	2.0047	1.4	(3,2,-2)
63.53	1.4643	22.2	(0,4,4)
63.64	1.4622	10.9	(4,0,4)
63.64	1.4622	10.9	(4,0,-4)
63.72	1.4604	21.6	(4,4,0)
76.20	1.2494	12.1	(2,2,6)
76.20	1.2494	12.1	(2,2,-6)
76.36	1.2472	12.0	(2,6,2)
76.36	1.2472	12.0	(2,6,-2)
76.55	1.2446	11.6	(6,2,2)
76.55	1.2446	11.6	(6,2,-2)

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Energy Properties

Formation Energy/atom

-1.09729

eV/atom

Energy/atom

-41.74773

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.7477

eV/atom

Volume/atom

17.15

Å³

c/a Ratio

1.0054

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0034

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.545

Element Family

5d-TM

Solute Fraction

0.455

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0901

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0628

J/mol·K

Ω Parameter

1.9578

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.927%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4402

smaller = more stable mixing

VEC

10.061

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.808

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7863

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfiuo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292654

Reference Citation

The crystal structure and related material properties of Ho8Ge(PdPt3)6 were obtained from the Materials Project database (MP-ID: mp-3292654, 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_Ho8Ge(PdPt3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24942365
_cell_length_b   8.27336157
_cell_length_c   8.29364988
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99986939
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Ge(PdPt3)6
_chemical_formula_sum   'Ho8 Ge1 Pd6 Pt18'
_cell_volume   566.04545800
_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  0.25305515  0.25317953  0.25313606  1.0
  Ho  Ho1  1  0.74648991  0.74614016  0.74643713  1.0
  Ho  Ho2  1  0.74666859  0.74637553  0.25360605  1.0
  Ho  Ho3  1  0.74648991  0.25385984  0.74643713  1.0
  Ho  Ho4  1  0.25328161  0.25340211  0.74684193  1.0
  Ho  Ho5  1  0.25305515  0.74682047  0.25313606  1.0
  Ho  Ho6  1  0.25328161  0.74659789  0.74684193  1.0
  Ho  Ho7  1  0.74666859  0.25362447  0.25360605  1.0
  Ge  Ge8  1  0.00171397  0.00000000  0.00026547  1.0
  Pd  Pd9  1  0.49992252  0.50000000  0.74785076  1.0
  Pd  Pd10  1  0.71364731  0.00000000  0.99985048  1.0
  Pd  Pd11  1  0.99933463  0.28800213  0.99986334  1.0
  Pd  Pd12  1  0.99933463  0.71199787  0.99986334  1.0
  Pd  Pd13  1  0.99929935  0.00000000  0.28768937  1.0
  Pd  Pd14  1  0.99936785  0.00000000  0.71282729  1.0
  Pt  Pt15  1  0.25783788  0.50000000  0.00004343  1.0
  Pt  Pt16  1  0.74109912  0.50000000  0.00007463  1.0
  Pt  Pt17  1  0.00001874  0.25805545  0.50013189  1.0
  Pt  Pt18  1  0.50016181  0.25909010  0.00003093  1.0
  Pt  Pt19  1  0.00001874  0.74194455  0.50013189  1.0
  Pt  Pt20  1  0.50016181  0.74090990  0.00003093  1.0
  Pt  Pt21  1  0.50011180  0.00000000  0.25846395  1.0
  Pt  Pt22  1  0.25755560  0.00000000  0.50007302  1.0
  Pt  Pt23  1  0.50018010  0.00000000  0.74140511  1.0
  Pt  Pt24  1  0.74140071  0.00000000  0.50011189  1.0
  Pt  Pt25  1  0.99999662  0.50000000  0.25775170  1.0
  Pt  Pt26  1  0.00002357  0.50000000  0.74210506  1.0
  Pt  Pt27  1  0.25217115  0.50000000  0.49984353  1.0
  Pt  Pt28  1  0.74810251  0.50000000  0.49991270  1.0
  Pt  Pt29  1  0.49991099  0.25217303  0.49993084  1.0
  Pt  Pt30  1  0.49991099  0.74782697  0.49993084  1.0
  Pt  Pt31  1  0.49987722  0.50000000  0.25197029  1.0
  Pt  Pt32  1  0.28984387  0.00000000  0.99980499  1.0

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