Cu4Pd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30594 · Space group: P4_2/m (#84)

Materials Project API

Basic Information

Formula

Cu4Pd

MP-ID

mp-30594

Elements

Sites

Density

9.7996

g/cm³

Volume

244.42

Å³

Cell a

5.8299

Cell b

5.8299

Cell c

7.1913

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4_2/m

Point Group

4/m

Crystal System

Tetragonal

Bravais Lattice

Stability

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 12)

2θ	d (Å)	I	hkl
19.60	4.5287	1.6	(1,0,1)
24.76	3.5956	1.1	(0,0,2)
24.90	3.5764	1.7	(1,1,1)
33.16	2.7015	1.0	(2,0,1)
34.40	2.6072	1.1	(2,1,0)
36.66	2.4511	1.1	(2,1,1)
42.84	2.1107	100.0	(2,1,2)
49.44	1.8436	32.2	(3,1,0)
50.78	1.7978	14.9	(0,0,4)
72.51	1.3036	9.4	(4,2,0)
73.59	1.2871	18.1	(3,1,4)
88.07	1.1091	22.1	(4,3,2)

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Energy Properties

Formation Energy/atom

-0.06373

eV/atom

Energy/atom

-13.33326

eV/atom

Energy above Hull

0.0159

eV/atom

Uncorrected Energy

-13.3333

eV/atom

Volume/atom

12.22

Å³

c/a Ratio

1.2335

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

145.218

GPa

G_VRH

47.364

GPa

Young's Modulus E

128.159

GPa

Poisson Ratio ν

0.353

Pugh Ratio K/G

3.066

Vickers Hardness Est.

2.151

GPa

Ductility

Brittle

Anisotropy

1.643

Lame λ

113.642

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.800

Element Family

N/A

Solute Fraction

0.200

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.879

Family

Cu-based Alloy

Matrix Element

Cu · 0.800

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.6430

Homogeneous Poisson ν

0.3530

Debye Temperature

319.5

Sound Velocity

2,472.7

m/s

Homogeneity

0.3530

Related Tasks

Related computation task IDs (5)

aaadnofv aaadrjqy aaaekwnf aaaetovi aaafwznz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30594

Reference Citation

The crystal structure and related material properties of Cu4Pd were obtained from the Materials Project database (MP-ID: mp-30594, 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_Cu4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82991692
_cell_length_b   5.82991692
_cell_length_c   7.19125335
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Pd
_chemical_formula_sum   'Cu16 Pd4'
_cell_volume   244.41582478
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.00000000  -0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  -0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.25000000  1.0
  Cu  Cu3  1  0.50000000  0.50000000  0.75000000  1.0
  Cu  Cu4  1  0.19239792  0.60473475  0.00000000  1.0
  Cu  Cu5  1  0.39526525  0.19239792  0.50000000  1.0
  Cu  Cu6  1  0.60473475  0.80760208  0.50000000  1.0
  Cu  Cu7  1  0.80760208  0.39526525  0.00000000  1.0
  Cu  Cu8  1  0.09584427  0.29635118  0.24938685  1.0
  Cu  Cu9  1  0.70364882  0.09584427  0.74938685  1.0
  Cu  Cu10  1  0.29635118  0.90415573  0.74938685  1.0
  Cu  Cu11  1  0.90415573  0.70364882  0.24938685  1.0
  Cu  Cu12  1  0.90415573  0.70364882  0.75061315  1.0
  Cu  Cu13  1  0.29635118  0.90415573  0.25061315  1.0
  Cu  Cu14  1  0.70364882  0.09584427  0.25061315  1.0
  Cu  Cu15  1  0.09584427  0.29635118  0.75061315  1.0
  Pd  Pd16  1  0.39714149  0.20808108  0.00000000  1.0
  Pd  Pd17  1  0.79191892  0.39714149  0.50000000  1.0
  Pd  Pd18  1  0.20808108  0.60285851  0.50000000  1.0
  Pd  Pd19  1  0.60285851  0.79191892  0.00000000  1.0

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