Ho8Al(Pd11Au)2

高熵材料 HEA

MP-ID: mp-3293152 · Space group: Pmm2 (#25)

Materials Project API

Basic Information

Formula

Ho8Al(Pd11Au)2

MP-ID

mp-3293152

Elements

Sites

Density

11.9638

g/cm³

Volume

566.51

Å³

Cell a

8.2070

Cell b

8.3116

Cell c

8.3050

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmm2

Point Group

mm2

Crystal System

Orthorhombic

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 15)

2θ	d (Å)	I	hkl
10.64	8.3116	1.2	(0,1,0)
10.78	8.2070	1.0	(1,0,0)
21.66	4.1035	1.9	(2,0,0)
30.43	2.9374	2.6	(0,2,2)
37.66	2.3885	100.0	(2,2,2)
43.56	2.0779	16.9	(0,4,0)
43.59	2.0763	16.8	(0,0,4)
44.14	2.0517	16.1	(4,0,0)
63.32	1.4687	10.4	(0,4,4)
63.75	1.4600	10.1	(4,4,0)
63.77	1.4594	10.1	(4,0,4)
76.05	1.2515	11.4	(2,6,2)
76.10	1.2508	11.4	(2,2,6)
76.88	1.2400	11.0	(6,2,2)
80.41	1.1943	9.9	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.96638

eV/atom

Energy/atom

-27.51434

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.5143

eV/atom

Volume/atom

17.17

Å³

c/a Ratio

1.0120

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0042

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.667

Element Family

4d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8897

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.3969

J/mol·K

Ω Parameter

1.6407

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.934%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4378

smaller = more stable mixing

VEC

10.091

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.882

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6418

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjns

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293152

Reference Citation

The crystal structure and related material properties of Ho8Al(Pd11Au)2 were obtained from the Materials Project database (MP-ID: mp-3293152, 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_Ho8Al(Pd11Au)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20696589
_cell_length_b   8.31162609
_cell_length_c   8.30502462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Al(Pd11Au)2
_chemical_formula_sum   'Ho8 Al1 Pd22 Au2'
_cell_volume   566.51256952
_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  0.25219590  0.24375239  0.25258401  1.0
  Ho  Ho1  1  0.74734212  0.74709182  0.74712393  1.0
  Ho  Ho2  1  0.74734212  0.74709182  0.25287607  1.0
  Ho  Ho3  1  0.74734212  0.25290818  0.74712393  1.0
  Ho  Ho4  1  0.25219590  0.24375239  0.74741599  1.0
  Ho  Ho5  1  0.25219590  0.75624761  0.25258401  1.0
  Ho  Ho6  1  0.25219590  0.75624761  0.74741599  1.0
  Ho  Ho7  1  0.74734212  0.25290818  0.25287607  1.0
  Al  Al8  1  0.99968942  0.00000000  0.00000000  1.0
  Pd  Pd9  1  0.74113314  0.50000000  0.00000000  1.0
  Pd  Pd10  1  0.00041237  0.25805160  0.50000000  1.0
  Pd  Pd11  1  0.50023279  0.25870013  0.00000000  1.0
  Pd  Pd12  1  0.00041237  0.74194840  0.50000000  1.0
  Pd  Pd13  1  0.50023279  0.74129987  0.00000000  1.0
  Pd  Pd14  1  0.50133777  0.00000000  0.25974543  1.0
  Pd  Pd15  1  0.25849922  0.00000000  0.50000000  1.0
  Pd  Pd16  1  0.50133777  0.00000000  0.74025457  1.0
  Pd  Pd17  1  0.74047452  0.00000000  0.50000000  1.0
  Pd  Pd18  1  0.00173048  0.50000000  0.25846483  1.0
  Pd  Pd19  1  0.00173048  0.50000000  0.74153517  1.0
  Pd  Pd20  1  0.74767294  0.50000000  0.50000000  1.0
  Pd  Pd21  1  0.49975485  0.25167898  0.50000000  1.0
  Pd  Pd22  1  0.49975485  0.74832102  0.50000000  1.0
  Pd  Pd23  1  0.49860993  0.50000000  0.25299121  1.0
  Pd  Pd24  1  0.49860993  0.50000000  0.74700879  1.0
  Pd  Pd25  1  0.28928147  0.00000000  0.00000000  1.0
  Pd  Pd26  1  0.71101225  0.00000000  0.00000000  1.0
  Pd  Pd27  1  0.00004561  0.28624983  0.00000000  1.0
  Pd  Pd28  1  0.00004561  0.71375017  0.00000000  1.0
  Pd  Pd29  1  0.99802498  0.00000000  0.28740860  1.0
  Pd  Pd30  1  0.99802498  0.00000000  0.71259140  1.0
  Au  Au31  1  0.26067406  0.50000000  0.00000000  1.0
  Au  Au32  1  0.25311638  0.50000000  0.50000000  1.0

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