Y8Sn(PdPt7)3

High-Entropy Materials HEA

MP-ID: mp-3292440 · Space group: Pmm2 (#25)

Materials Project API

Basic Information

Formula

Y8Sn(PdPt7)3

MP-ID

mp-3292440

Elements

Sites

Density

14.8311

g/cm³

Volume

587.36

Å³

Cell a

8.3730

Cell b

8.3723

Cell c

8.3788

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 24)

2θ	d (Å)	I	hkl
14.96	5.9227	1.3	(1,0,1)
14.96	5.9204	2.4	(1,1,0)
21.21	4.1894	6.5	(0,0,2)
21.22	4.1865	3.3	(2,0,0)
21.22	4.1861	4.8	(0,2,0)
32.05	2.7929	1.4	(0,0,3)
32.07	2.7910	2.0	(3,0,0)
32.07	2.7908	1.7	(0,3,0)
37.19	2.4176	100.0	(2,2,2)
38.76	2.3234	2.0	(2,0,3)
38.76	2.3233	1.3	(0,2,3)
38.77	2.3228	1.4	(3,0,2)
38.77	2.3226	1.1	(0,3,2)
38.78	2.3222	2.1	(3,2,0)
38.78	2.3221	2.4	(2,3,0)
40.29	2.2387	1.0	(1,2,3)
40.29	2.2382	1.3	(3,1,2)
40.30	2.2381	1.3	(1,3,2)
43.19	2.0947	17.9	(0,0,4)
43.22	2.0933	17.7	(4,0,0)
43.22	2.0931	17.8	(0,4,0)
44.60	2.0315	2.6	(2,2,3)
44.61	2.0310	1.9	(3,2,2)
44.62	2.0310	2.3	(2,3,2)

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Energy Properties

Formation Energy/atom

-1.05370

eV/atom

Energy/atom

-41.58032

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-41.5803

eV/atom

Volume/atom

17.80

Å³

c/a Ratio

1.0007

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0121

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pt · 0.636

Element Family

5d-TM

Solute Fraction

0.364

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9551

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9407

J/mol·K

Ω Parameter

0.2619

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.803%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4484

smaller = more stable mixing

VEC

8.121

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-58.111

kJ/mol; negative = exothermic mixing

Entropy Norm

0.6890

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfimi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3292440

Reference Citation

The crystal structure and related material properties of Y8Sn(PdPt7)3 were obtained from the Materials Project database (MP-ID: mp-3292440, 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_Y8Sn(PdPt7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37301820
_cell_length_b   8.37224775
_cell_length_c   8.37875882
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y8Sn(PdPt7)3
_chemical_formula_sum   'Y8 Sn1 Pd3 Pt21'
_cell_volume   587.35922742
_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  0.25125868  0.25136540  0.25135579  1.0
  Y  Y1  1  0.74890502  0.74869737  0.74860361  1.0
  Y  Y2  1  0.74890502  0.74869737  0.25139639  1.0
  Y  Y3  1  0.74874132  0.25136540  0.74864421  1.0
  Y  Y4  1  0.25125868  0.25136540  0.74864421  1.0
  Y  Y5  1  0.25109498  0.74869737  0.25139639  1.0
  Y  Y6  1  0.25109498  0.74869737  0.74860361  1.0
  Y  Y7  1  0.74874132  0.25136540  0.25135579  1.0
  Sn  Sn8  1  0.00000000  0.00053119  0.00000000  1.0
  Pd  Pd9  1  0.50000000  0.74358292  0.50000000  1.0
  Pd  Pd10  1  0.50000000  0.49993063  0.25609921  1.0
  Pd  Pd11  1  0.50000000  0.49993063  0.74390079  1.0
  Pt  Pt12  1  0.26853238  0.50005112  0.00000000  1.0
  Pt  Pt13  1  0.73146762  0.50005112  0.00000000  1.0
  Pt  Pt14  1  0.00000000  0.26765925  0.50000000  1.0
  Pt  Pt15  1  0.50000000  0.26825941  0.00000000  1.0
  Pt  Pt16  1  0.00000000  0.73173171  0.50000000  1.0
  Pt  Pt17  1  0.50000000  0.73154955  0.00000000  1.0
  Pt  Pt18  1  0.50000000  0.00005384  0.26800278  1.0
  Pt  Pt19  1  0.26836848  0.00028499  0.50000000  1.0
  Pt  Pt20  1  0.50000000  0.00005384  0.73199722  1.0
  Pt  Pt21  1  0.73163152  0.00028499  0.50000000  1.0
  Pt  Pt22  1  0.00000000  0.49998347  0.26775969  1.0
  Pt  Pt23  1  0.00000000  0.49998347  0.73224031  1.0
  Pt  Pt24  1  0.25614007  0.49955339  0.50000000  1.0
  Pt  Pt25  1  0.74385993  0.49955339  0.50000000  1.0
  Pt  Pt26  1  0.50000000  0.25625867  0.50000000  1.0
  Pt  Pt27  1  0.31616330  0.99989479  0.00000000  1.0
  Pt  Pt28  1  0.68383670  0.99989479  0.00000000  1.0
  Pt  Pt29  1  0.00000000  0.31635055  0.00000000  1.0
  Pt  Pt30  1  0.00000000  0.68464260  0.00000000  1.0
  Pt  Pt31  1  0.00000000  0.99983929  0.31542153  1.0
  Pt  Pt32  1  0.00000000  0.99983929  0.68457847  1.0

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