Ho8GaPdPt23

高熵材料 HEA

MP-ID: mp-3293339 · Space group: P4mm (#99)

Materials Project API

Basic Information

Formula

Ho8GaPdPt23

MP-ID

mp-3293339

Elements

Sites

Density

17.4813

g/cm³

Volume

568.27

Å³

Cell a

8.2941

Cell b

8.2774

Cell c

8.2774

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4mm

Point Group

4mm

Crystal System

Tetragonal

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 11)

2θ	d (Å)	I	hkl
10.69	8.2774	1.0	(0,1,0)
37.62	2.3911	100.0	(2,2,2)
39.22	2.2972	1.2	(2,3,0)
43.65	2.0735	17.3	(4,0,0)
43.74	2.0694	34.0	(0,4,0)
45.14	2.0085	2.2	(2,3,2)
63.51	1.4647	21.0	(4,4,0)
63.59	1.4633	10.4	(0,4,4)
76.16	1.2499	11.4	(6,2,2)
76.29	1.2481	22.3	(2,6,2)
80.31	1.1955	10.0	(4,4,4)

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Energy Properties

Formation Energy/atom

-1.12203

eV/atom

Energy/atom

-46.02117

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-46.0212

eV/atom

Volume/atom

17.22

Å³

c/a Ratio

0.9980

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

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

Pt · 0.697

Element Family

5d-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

3.5457

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.538%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4479

smaller = more stable mixing

VEC

10.030

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.610

kJ/mol; negative = exothermic mixing

Entropy Norm

0.5822

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjux

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293339

Reference Citation

The crystal structure and related material properties of Ho8GaPdPt23 were obtained from the Materials Project database (MP-ID: mp-3293339, 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_Ho8GaPdPt23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29408758
_cell_length_b   8.27741914
_cell_length_c   8.27741914
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8GaPdPt23
_chemical_formula_sum   'Ho8 Ga1 Pd1 Pt23'
_cell_volume   568.27494714
_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  0.25119846  0.25086458  0.74913542  1.0
  Ho  Ho1  1  0.25119846  0.74913542  0.25086458  1.0
  Ho  Ho2  1  0.74808435  0.25163871  0.25163871  1.0
  Ho  Ho3  1  0.74808435  0.74836129  0.74836129  1.0
  Ho  Ho4  1  0.74808435  0.74836129  0.25163871  1.0
  Ho  Ho5  1  0.74808435  0.25163871  0.74836129  1.0
  Ho  Ho6  1  0.25119846  0.74913542  0.74913542  1.0
  Ho  Ho7  1  0.25119846  0.25086458  0.25086458  1.0
  Ga  Ga8  1  0.00439317  0.00000000  0.00000000  1.0
  Pd  Pd9  1  0.70936192  0.00000000  0.00000000  1.0
  Pt  Pt10  1  0.49956469  0.50000000  0.74677132  1.0
  Pt  Pt11  1  0.49956469  0.25322868  0.50000000  1.0
  Pt  Pt12  1  0.25326011  0.50000000  0.50000000  1.0
  Pt  Pt13  1  0.49956469  0.50000000  0.25322868  1.0
  Pt  Pt14  1  0.49956469  0.74677132  0.50000000  1.0
  Pt  Pt15  1  0.74645347  0.50000000  0.50000000  1.0
  Pt  Pt16  1  0.99851327  0.00000000  0.70627048  1.0
  Pt  Pt17  1  0.99851327  0.29372952  0.00000000  1.0
  Pt  Pt18  1  0.29861929  0.00000000  0.00000000  1.0
  Pt  Pt19  1  0.99851327  0.00000000  0.29372952  1.0
  Pt  Pt20  1  0.99851327  0.70627048  0.00000000  1.0
  Pt  Pt21  1  0.99995460  0.50000000  0.73876916  1.0
  Pt  Pt22  1  0.50048477  0.26108104  0.00000000  1.0
  Pt  Pt23  1  0.26073596  0.00000000  0.50000000  1.0
  Pt  Pt24  1  0.99995460  0.26123084  0.50000000  1.0
  Pt  Pt25  1  0.50048477  0.00000000  0.73891896  1.0
  Pt  Pt26  1  0.26073596  0.50000000  0.00000000  1.0
  Pt  Pt27  1  0.99995460  0.50000000  0.26123084  1.0
  Pt  Pt28  1  0.50048477  0.73891896  0.00000000  1.0
  Pt  Pt29  1  0.99995460  0.73876916  0.50000000  1.0
  Pt  Pt30  1  0.50048477  0.00000000  0.26108104  1.0
  Pt  Pt31  1  0.73762028  0.00000000  0.50000000  1.0
  Pt  Pt32  1  0.73762028  0.50000000  0.00000000  1.0

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