Ho8CuGePd23

高熵材料 HEA

MP-ID: mp-3296215 · Space group: Pmm2 (#25)

Materials Project API

Basic Information

Formula

Ho8CuGePd23

MP-ID

mp-3296215

Elements

Sites

Density

11.5581

g/cm³

Volume

560.78

Å³

Cell a

8.1911

Cell b

8.2479

Cell c

8.3005

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
30.56	2.9253	1.8	(0,2,2)
30.67	2.9152	2.3	(2,0,2)
30.77	2.9060	2.4	(2,2,0)
37.79	2.3805	100.0	(2,2,2)
43.62	2.0751	17.9	(0,0,4)
43.91	2.0620	17.4	(0,4,0)
44.23	2.0478	17.0	(4,0,0)
45.25	2.0038	1.2	(2,2,3)
63.61	1.4627	10.7	(0,4,4)
63.86	1.4576	10.5	(4,0,4)
64.09	1.4530	10.4	(4,4,0)
76.22	1.2491	11.2	(2,2,6)
76.64	1.2433	10.8	(2,6,2)
77.10	1.2371	10.6	(6,2,2)
80.74	1.1902	10.1	(4,4,4)

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Energy Properties

Formation Energy/atom

-0.92748

eV/atom

Energy/atom

-25.65051

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.6505

eV/atom

Volume/atom

16.99

Å³

c/a Ratio

1.0134

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0010

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.697

Element Family

4d-TM

Solute Fraction

0.303

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8071

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.7099

J/mol·K

Ω Parameter

5.0510

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.563%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4116

smaller = more stable mixing

VEC

10.091

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.354

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5822

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfobn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296215

Reference Citation

The crystal structure and related material properties of Ho8CuGePd23 were obtained from the Materials Project database (MP-ID: mp-3296215, 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_Ho8CuGePd23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19112052
_cell_length_b   8.24787699
_cell_length_c   8.30053749
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8CuGePd23
_chemical_formula_sum   'Ho8 Cu1 Ge1 Pd23'
_cell_volume   560.77895465
_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  0.25380099  0.25142088  0.25793971  1.0
  Ho  Ho1  1  0.74635280  0.74581155  0.74729572  1.0
  Ho  Ho2  1  0.74635280  0.74581155  0.25270428  1.0
  Ho  Ho3  1  0.74635280  0.25418845  0.74729572  1.0
  Ho  Ho4  1  0.25380099  0.25142088  0.74206029  1.0
  Ho  Ho5  1  0.25380099  0.74857912  0.25793971  1.0
  Ho  Ho6  1  0.25380099  0.74857912  0.74206029  1.0
  Ho  Ho7  1  0.74635280  0.25418845  0.25270428  1.0
  Cu  Cu8  1  0.26685288  0.50000000  0.00000000  1.0
  Ge  Ge9  1  0.99411221  0.00000000  0.00000000  1.0
  Pd  Pd10  1  0.74383274  0.50000000  0.00000000  1.0
  Pd  Pd11  1  0.99832534  0.25873543  0.50000000  1.0
  Pd  Pd12  1  0.49333312  0.26370746  0.00000000  1.0
  Pd  Pd13  1  0.99832534  0.74126457  0.50000000  1.0
  Pd  Pd14  1  0.49333312  0.73629254  0.00000000  1.0
  Pd  Pd15  1  0.49943373  0.00000000  0.25982379  1.0
  Pd  Pd16  1  0.25788280  0.00000000  0.50000000  1.0
  Pd  Pd17  1  0.49943373  0.00000000  0.74017621  1.0
  Pd  Pd18  1  0.74087308  0.00000000  0.50000000  1.0
  Pd  Pd19  1  0.00276240  0.50000000  0.25945534  1.0
  Pd  Pd20  1  0.00276240  0.50000000  0.74054466  1.0
  Pd  Pd21  1  0.25304469  0.50000000  0.50000000  1.0
  Pd  Pd22  1  0.74677158  0.50000000  0.50000000  1.0
  Pd  Pd23  1  0.50137376  0.25329028  0.50000000  1.0
  Pd  Pd24  1  0.50137376  0.74670972  0.50000000  1.0
  Pd  Pd25  1  0.49635982  0.50000000  0.25065981  1.0
  Pd  Pd26  1  0.49635982  0.50000000  0.74934019  1.0
  Pd  Pd27  1  0.28520074  0.00000000  0.00000000  1.0
  Pd  Pd28  1  0.70455129  0.00000000  0.00000000  1.0
  Pd  Pd29  1  0.01267698  0.29231953  0.00000000  1.0
  Pd  Pd30  1  0.01267698  0.70768047  0.00000000  1.0
  Pd  Pd31  1  0.99886829  0.00000000  0.28683337  1.0
  Pd  Pd32  1  0.99886829  0.00000000  0.71316663  1.0

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