Ag3Pd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-985296 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Ag3Pd

MP-ID

mp-985296

Elements

Sites

Density

10.7281

g/cm³

Volume

66.56

Å³

Cell a

4.9439

Cell b

4.9439

Cell c

4.9439

α Angle

131.40

β Angle

131.40

γ Angle

71.18

Space Group

I4/mmm

Point Group

4/mmm

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 8)

2θ	d (Å)	I	hkl
38.48	2.3397	100.0	(1,1,0)
44.54	2.0344	32.5	(1,-1,1)
45.10	2.0102	15.7	(2,2,-2)
64.81	1.4386	10.1	(0,0,2)
65.25	1.4299	19.8	(3,1,-1)
77.97	1.2255	23.5	(2,0,1)
78.78	1.2148	11.4	(3,3,-2)
82.44	1.1699	10.2	(2,2,0)

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Energy Properties

Formation Energy/atom

-0.06678

eV/atom

Energy/atom

-21.82380

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.8238

eV/atom

Volume/atom

16.64

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

105.215

GPa

G_VRH

33.362

GPa

Young's Modulus E

90.519

GPa

Poisson Ratio ν

0.357

Pugh Ratio K/G

3.154

Vickers Hardness Est.

1.060

GPa

Ductility

Brittle

Anisotropy

1.591

Lame λ

82.974

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.931

Family

Binary Alloy

Matrix Element

Ag · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.5910

Homogeneous Poisson ν

0.3570

Debye Temperature

231.4

Sound Velocity

1,984.4

m/s

Homogeneity

0.3570

Related Tasks

Related computation task IDs (5)

aaadnwxl aaadwkao aaaelfvo aaaethhq aaafizgm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-985296

Reference Citation

The crystal structure and related material properties of Ag3Pd were obtained from the Materials Project database (MP-ID: mp-985296, 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_Ag3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94386583
_cell_length_b   4.94386583
_cell_length_c   4.94386583
_cell_angle_alpha   131.40120969
_cell_angle_beta   131.40120969
_cell_angle_gamma   71.17641125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Pd
_chemical_formula_sum   'Ag3 Pd1'
_cell_volume   66.56072685
_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
  Ag  Ag0  1  0.74999800  0.25000000  0.49999800  1.0
  Ag  Ag1  1  0.25000000  0.74999800  0.49999800  1.0
  Ag  Ag2  1  0.50000100  0.50000100  0.00000000  1.0
  Pd  Pd3  1  0.00000000  0.00000000  0.00000000  1.0

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