Cd3Pd

Traditional Materials TRA

MP-ID: mp-1183648 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Cd3Pd

MP-ID

mp-1183648

Elements

Sites

Density

9.8512

g/cm³

Volume

149.57

Å³

Cell a

5.9796

Cell b

5.9796

Cell c

4.8301

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

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 17)

2θ	d (Å)	I	hkl
34.64	2.5893	36.1	(2,0,-2,0)
37.23	2.4151	39.6	(0,0,0,2)
39.49	2.2820	100.0	(2,0,-2,1)
39.49	2.2820	50.0	(2,-2,0,1)
51.76	1.7661	22.2	(2,0,-2,2)
62.09	1.4949	8.3	(2,2,-4,0)
62.09	1.4949	16.6	(4,-2,-2,0)
68.64	1.3673	27.6	(2,0,-2,3)
73.09	1.2946	2.5	(4,0,-4,0)
73.09	1.2946	1.3	(4,-4,0,0)
74.67	1.2711	9.5	(2,2,-4,2)
74.67	1.2711	19.0	(4,-2,-2,2)
76.12	1.2505	20.2	(4,0,-4,1)
79.35	1.2075	4.1	(0,0,0,4)
85.01	1.1410	3.4	(4,0,-4,2)
85.01	1.1410	1.7	(4,-4,0,2)
89.57	1.0944	4.7	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

-0.19044

eV/atom

Energy/atom

-2.20542

eV/atom

Energy above Hull

0.0209

eV/atom

Uncorrected Energy

-21.0586

eV/atom

Volume/atom

18.70

Å³

c/a Ratio

0.8078

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 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

0.707

Family

Binary Alloy

Matrix Element

Cd · 0.750

Related Tasks

Related computation task IDs (5)

aaadocws aaadvwkj aaaekwtt aaaeqctb aaafbams

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183648

Reference Citation

The crystal structure and related material properties of Cd3Pd were obtained from the Materials Project database (MP-ID: mp-1183648, 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_Cd3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97962857
_cell_length_b   5.97962857
_cell_length_c   4.83010190
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Pd
_chemical_formula_sum   'Cd6 Pd2'
_cell_volume   149.56685720
_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
  Cd  Cd0  1  0.17088801  0.34177702  0.25000000  1.0
  Cd  Cd1  1  0.65822298  0.82911199  0.25000000  1.0
  Cd  Cd2  1  0.17088801  0.82911199  0.25000000  1.0
  Cd  Cd3  1  0.82911199  0.65822298  0.75000000  1.0
  Cd  Cd4  1  0.34177702  0.17088801  0.75000000  1.0
  Cd  Cd5  1  0.82911199  0.17088801  0.75000000  1.0
  Pd  Pd6  1  0.33333300  0.66666700  0.75000000  1.0
  Pd  Pd7  1  0.66666700  0.33333300  0.25000000  1.0

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