SrAsPd

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9743 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

SrAsPd

MP-ID

mp-9743

Elements

Sites

Density

6.2673

g/cm³

Volume

142.52

Å³

Cell a

4.2938

Cell b

4.2938

Cell c

8.9264

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

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 24)

2θ	d (Å)	I	hkl
19.89	4.4632	23.1	(0,0,0,2)
25.96	3.4326	1.8	(1,0,-1,1)
25.96	3.4326	3.6	(1,-1,0,1)
31.31	2.8569	50.0	(1,0,-1,2)
31.31	2.8569	100.0	(1,-1,0,2)
38.76	2.3233	1.2	(1,-1,0,3)
40.42	2.2316	28.2	(0,0,0,4)
42.09	2.1469	50.2	(2,-1,-1,0)
42.09	2.1469	25.1	(1,-2,1,0)
46.97	1.9347	9.2	(2,-1,-1,2)
46.97	1.9347	4.6	(1,-2,1,2)
53.38	1.7163	10.8	(2,0,-2,2)
53.38	1.7163	21.6	(2,-2,0,2)
59.77	1.5472	17.5	(2,-1,-1,4)
59.77	1.5472	17.5	(1,1,-2,4)
59.77	1.5472	17.5	(1,-2,1,4)
67.85	1.3813	15.7	(1,0,-1,6)
70.21	1.3406	4.7	(3,-1,-2,2)
70.21	1.3406	9.5	(3,-2,-1,2)
70.21	1.3406	4.7	(1,2,-3,2)
70.21	1.3406	9.5	(2,-3,1,2)
76.92	1.2395	4.2	(3,0,-3,0)
76.92	1.2395	4.2	(3,-3,0,0)
76.92	1.2395	4.2	(0,3,-3,0)

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Energy Properties

Formation Energy/atom

-0.96106

eV/atom

Energy/atom

-4.80854

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.6743

eV/atom

Volume/atom

23.75

Å³

c/a Ratio

2.0789

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

64.685

GPa

G_VRH

27.956

GPa

Young's Modulus E

73.307

GPa

Poisson Ratio ν

0.311

Pugh Ratio K/G

2.314

Vickers Hardness Est.

2.260

GPa

Ductility

Brittle

Anisotropy

0.381

Lame λ

46.048

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.908%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5846

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.390

Family

Sr-rich Multi-Component

Matrix Element

Sr · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3810

Homogeneous Poisson ν

0.3110

Debye Temperature

333.2

Sound Velocity

2,362.4

m/s

Homogeneity

0.3110

Related Tasks

Related computation task IDs (5)

aaadmpma aaadspoy aaaelxki aaaeuhqy aaafijpl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9743

Reference Citation

The crystal structure and related material properties of SrAsPd were obtained from the Materials Project database (MP-ID: mp-9743, 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

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Raw CIF Data

# generated using pymatgen
data_SrAsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29379133
_cell_length_b   4.29378936
_cell_length_c   8.92636061
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999152
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAsPd
_chemical_formula_sum   'Sr2 As2 Pd2'
_cell_volume   142.52359454
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.00000000  0.00000000  0.50000000  1.0
  Sr  Sr1  1  0.00000000  0.00000000  -0.00000000  1.0
  As  As2  1  0.33333300  0.66666700  0.75000000  1.0
  As  As3  1  0.66666700  0.33333300  0.25000000  1.0
  Pd  Pd4  1  0.33333300  0.66666700  0.25000000  1.0
  Pd  Pd5  1  0.66666700  0.33333300  0.75000000  1.0

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