Y8Sb(Pd2Pt)8

High-Entropy Materials HEA

MP-ID: mp-3294330 · Space group: P4mm (#99)

Materials Project API

Basic Information

Formula

Y8Sb(Pd2Pt)8

MP-ID

mp-3294330

Elements

Sites

Density

11.6878

g/cm³

Volume

581.99

Å³

Cell a

8.3556

Cell b

8.3459

Cell c

8.3459

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 24)

2θ	d (Å)	I	hkl
10.59	8.3556	5.4	(1,0,0)
10.60	8.3459	8.2	(0,1,0)
15.00	5.9048	1.5	(1,1,0)
18.41	4.8204	1.1	(1,1,1)
21.29	4.1729	6.3	(0,2,0)
32.16	2.7834	3.7	(2,2,1)
32.17	2.7823	2.0	(1,2,2)
33.93	2.6420	1.4	(3,1,0)
33.96	2.6395	1.4	(1,3,0)
37.31	2.4102	100.0	(2,2,2)
38.88	2.3166	1.7	(3,2,0)
38.89	2.3156	1.2	(2,3,0)
38.91	2.3147	1.2	(0,3,2)
43.32	2.0889	18.2	(4,0,0)
43.37	2.0865	36.5	(0,4,0)
44.72	2.0264	1.3	(4,1,0)
44.74	2.0254	4.5	(3,2,2)
44.76	2.0247	7.9	(2,3,2)
44.77	2.0243	1.5	(1,4,0)
44.77	2.0242	1.3	(0,4,1)
46.12	1.9683	1.5	(3,3,0)
53.80	1.7039	1.1	(2,4,2)
62.96	1.4762	21.2	(4,4,0)
63.00	1.4754	10.7	(0,4,4)

Get direct link

Energy Properties

Formation Energy/atom

-0.96358

eV/atom

Energy/atom

-30.28128

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.2813

eV/atom

Volume/atom

17.64

Å³

c/a Ratio

0.9988

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

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.485

Element Family

4d-TM

Solute Fraction

0.515

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.1440

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.5113

J/mol·K

Ω Parameter

0.2806

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.202%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4306

smaller = more stable mixing

VEC

8.152

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-62.522

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8252

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahflha

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3294330

Reference Citation

The crystal structure and related material properties of Y8Sb(Pd2Pt)8 were obtained from the Materials Project database (MP-ID: mp-3294330, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Y8Sb(Pd2Pt)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35555779
_cell_length_b   8.34585530
_cell_length_c   8.34585530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y8Sb(Pd2Pt)8
_chemical_formula_sum   'Y8 Sb1 Pd16 Pt8'
_cell_volume   581.99217884
_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
  Y  Y0  1  0.74553222  0.74555172  0.25444828  1.0
  Y  Y1  1  0.74553222  0.25444828  0.74555172  1.0
  Y  Y2  1  0.25462508  0.74502510  0.74502510  1.0
  Y  Y3  1  0.74553222  0.74555172  0.74555172  1.0
  Y  Y4  1  0.74553222  0.25444828  0.25444828  1.0
  Y  Y5  1  0.25462508  0.25497490  0.74502510  1.0
  Y  Y6  1  0.25462508  0.74502510  0.25497490  1.0
  Y  Y7  1  0.25462508  0.25497490  0.25497490  1.0
  Sb  Sb8  1  0.99938683  0.00000000  0.00000000  1.0
  Pd  Pd9  1  0.00032509  0.00000000  0.30568298  1.0
  Pd  Pd10  1  0.49962077  0.00000000  0.73604337  1.0
  Pd  Pd11  1  0.99991543  0.73557533  0.50000000  1.0
  Pd  Pd12  1  0.49962077  0.00000000  0.26395663  1.0
  Pd  Pd13  1  0.99991543  0.26442467  0.50000000  1.0
  Pd  Pd14  1  0.49962077  0.73604337  0.00000000  1.0
  Pd  Pd15  1  0.30508038  0.00000000  0.00000000  1.0
  Pd  Pd16  1  0.00032509  0.00000000  0.69431702  1.0
  Pd  Pd17  1  0.99991543  0.50000000  0.26442467  1.0
  Pd  Pd18  1  0.00032509  0.30568298  0.00000000  1.0
  Pd  Pd19  1  0.00032509  0.69431702  0.00000000  1.0
  Pd  Pd20  1  0.69361536  0.00000000  0.00000000  1.0
  Pd  Pd21  1  0.26409560  0.50000000  0.00000000  1.0
  Pd  Pd22  1  0.26409560  0.00000000  0.50000000  1.0
  Pd  Pd23  1  0.99991543  0.50000000  0.73557533  1.0
  Pd  Pd24  1  0.49962077  0.26395663  0.00000000  1.0
  Pt  Pt25  1  0.73590144  0.00000000  0.50000000  1.0
  Pt  Pt26  1  0.73590144  0.50000000  0.00000000  1.0
  Pt  Pt27  1  0.25425942  0.50000000  0.50000000  1.0
  Pt  Pt28  1  0.50026185  0.50000000  0.74657128  1.0
  Pt  Pt29  1  0.50026185  0.50000000  0.25342872  1.0
  Pt  Pt30  1  0.50026185  0.25342872  0.50000000  1.0
  Pt  Pt31  1  0.50026185  0.74657128  0.50000000  1.0
  Pt  Pt32  1  0.74654416  0.50000000  0.50000000  1.0

Get direct link