HoSnPd2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30731 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

HoSnPd2

MP-ID

mp-30731

Elements

Sites

Density

10.8261

g/cm³

Volume

76.15

Å³

Cell a

4.7577

Cell b

4.7577

Cell c

4.7577

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 13)

2θ	d (Å)	I	hkl
22.89	3.8847	1.9	(1,0,0)
26.49	3.3642	2.1	(1,0,1)
26.49	3.3642	1.1	(1,1,0)
37.82	2.3789	25.0	(0,1,-1)
37.82	2.3789	100.0	(1,2,1)
37.82	2.3789	25.0	(2,1,1)
54.56	1.6821	26.0	(2,2,0)
68.29	1.3734	26.5	(1,3,0)
68.29	1.3734	8.8	(2,-1,-1)
68.29	1.3734	17.7	(3,3,2)
80.80	1.1894	2.8	(0,2,-2)
80.80	1.1894	11.2	(2,4,2)
80.80	1.1894	2.8	(4,2,2)

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Energy Properties

Formation Energy/atom

-0.88140

eV/atom

Energy/atom

-5.62316

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.7898

eV/atom

Volume/atom

19.04

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

110.960

GPa

G_VRH

20.177

GPa

Young's Modulus E

57.072

GPa

Poisson Ratio ν

0.414

Pugh Ratio K/G

5.499

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.019

Lame λ

97.509

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

1.7447

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

10.349%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3976

smaller = more stable mixing

VEC

8.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.302

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.469

Family

Pd-rich Multi-Component

Matrix Element

Pd · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0190

Homogeneous Poisson ν

0.4140

Debye Temperature

197.5

Sound Velocity

1,548.4

m/s

Homogeneity

0.4140

Related Tasks

Related computation task IDs (5)

aaadmiui aaadspnm aaaegroq aaaequgl aaafwxmy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30731

Reference Citation

The crystal structure and related material properties of HoSnPd2 were obtained from the Materials Project database (MP-ID: mp-30731, 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_HoSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75771370
_cell_length_b   4.75771463
_cell_length_c   4.75771497
_cell_angle_alpha   60.00001192
_cell_angle_beta   60.00000542
_cell_angle_gamma   60.00001008
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoSnPd2
_chemical_formula_sum   'Ho1 Sn1 Pd2'
_cell_volume   76.15180586
_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  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn1  1  0.50000000  0.50000000  0.50000000  1.0
  Pd  Pd2  1  0.75000000  0.75000000  0.75000000  1.0
  Pd  Pd3  1  0.25000000  0.25000000  0.25000000  1.0

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