Ho8Ga(Pd11Pt)2

高熵材料 HEA

MP-ID: mp-3293390 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ho8Ga(Pd11Pt)2

MP-ID

mp-3293390

Elements

Sites

Density

12.1419

g/cm³

Volume

563.53

Å³

Cell a

8.2657

Cell b

8.2570

Cell c

8.2570

α Angle

90.01

β Angle

90.00

γ Angle

90.00

Space Group

Amm2

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 24)

2θ	d (Å)	I	hkl
10.70	8.2657	2.3	(1,0,0)
10.71	8.2570	2.3	(0,1,0)
15.17	5.8416	1.1	(1,1,0)
18.61	4.7690	1.0	(1,1,-1)
21.52	4.1285	2.7	(0,2,0)
30.61	2.9208	7.4	(2,2,0)
34.31	2.6136	1.1	(3,1,0)
34.34	2.6114	1.1	(1,3,0)
37.73	2.3845	100.0	(2,2,-2)
37.73	2.3844	100.0	(2,2,2)
43.81	2.0664	34.8	(4,0,0)
43.86	2.0642	69.4	(0,4,0)
45.25	2.0038	1.4	(3,2,-2)
45.26	2.0037	1.4	(3,2,2)
45.27	2.0032	2.1	(2,3,-2)
45.27	2.0030	2.1	(2,3,2)
46.65	1.9472	1.4	(3,3,0)
49.31	1.8479	1.3	(4,2,0)
63.72	1.4604	42.5	(4,4,0)
63.76	1.4597	10.6	(0,4,-4)
63.77	1.4596	10.6	(0,4,4)
72.31	1.3068	1.2	(6,2,0)
72.38	1.3057	1.2	(2,6,0)
76.45	1.2459	11.2	(6,2,-2)

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Energy Properties

Formation Energy/atom

-0.96875

eV/atom

Energy/atom

-27.71417

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-27.7142

eV/atom

Volume/atom

17.08

Å³

c/a Ratio

0.9989

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 · 0.667

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

2.4203

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.117%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4177

smaller = more stable mixing

VEC

10.030

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.415

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6418

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfjww

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3293390

Reference Citation

The crystal structure and related material properties of Ho8Ga(Pd11Pt)2 were obtained from the Materials Project database (MP-ID: mp-3293390, 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_Ho8Ga(Pd11Pt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26570371
_cell_length_b   8.25695909
_cell_length_c   8.25695909
_cell_angle_alpha   90.00522820
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho8Ga(Pd11Pt)2
_chemical_formula_sum   'Ho8 Ga1 Pd22 Pt2'
_cell_volume   563.53396547
_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  0.25261765  0.25218790  0.74781210  1.0
  Ho  Ho1  1  0.25168026  0.74838589  0.25161411  1.0
  Ho  Ho2  1  0.74775940  0.25171573  0.25219779  1.0
  Ho  Ho3  1  0.74775940  0.74780221  0.74828427  1.0
  Ho  Ho4  1  0.74831974  0.74838589  0.25161411  1.0
  Ho  Ho5  1  0.74738235  0.25218790  0.74781210  1.0
  Ho  Ho6  1  0.25224060  0.74780221  0.74828427  1.0
  Ho  Ho7  1  0.25224060  0.25171573  0.25219779  1.0
  Ga  Ga8  1  0.00000000  0.00024950  0.99975050  1.0
  Pd  Pd9  1  0.25258306  0.50023357  0.49976643  1.0
  Pd  Pd10  1  0.50000000  0.50008261  0.25272642  1.0
  Pd  Pd11  1  0.50000000  0.74727358  0.49991739  1.0
  Pd  Pd12  1  0.74741694  0.50023357  0.49976643  1.0
  Pd  Pd13  1  0.00000000  0.99978985  0.70870563  1.0
  Pd  Pd14  1  0.00000000  0.29129437  0.00021015  1.0
  Pd  Pd15  1  0.29090591  0.99976387  0.00023613  1.0
  Pd  Pd16  1  0.00000000  0.99976059  0.29116654  1.0
  Pd  Pd17  1  0.00000000  0.70883346  0.00023941  1.0
  Pd  Pd18  1  0.70909409  0.99976387  0.00023613  1.0
  Pd  Pd19  1  0.00000000  0.50018001  0.73978759  1.0
  Pd  Pd20  1  0.50000000  0.25995853  0.00010804  1.0
  Pd  Pd21  1  0.26003660  0.99982692  0.49987938  1.0
  Pd  Pd22  1  0.00000000  0.26021241  0.49981999  1.0
  Pd  Pd23  1  0.50000000  0.99989196  0.74004147  1.0
  Pd  Pd24  1  0.26003660  0.50012062  0.00017308  1.0
  Pd  Pd25  1  0.00000000  0.50006226  0.26006914  1.0
  Pd  Pd26  1  0.50000000  0.74001783  0.00009445  1.0
  Pd  Pd27  1  0.00000000  0.73993086  0.49993774  1.0
  Pd  Pd28  1  0.50000000  0.99990555  0.25998217  1.0
  Pd  Pd29  1  0.73996340  0.99982692  0.49987938  1.0
  Pd  Pd30  1  0.73996340  0.50012062  0.00017308  1.0
  Pt  Pt31  1  0.50000000  0.50014766  0.74766646  1.0
  Pt  Pt32  1  0.50000000  0.25233354  0.49985234  1.0

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