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Cd3Pb

Traditional Materials TRA

MP-ID: mp-1183663 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Cd3Pb
MP-ID
mp-1183663
Elements
2
Sites
8
Density
9.1234
g/cm³
Volume
198.18
ų
Cell a
6.4065
Å
Cell b
6.4065
Å
Cell c
5.5756
Å
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
hP
Stability
No
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 21)
2θd (Å)Ihkl
15.97 5.5482 1.6 (1,0,-1,0)
22.61 3.9328 9.6 (1,0,-1,1)
27.85 3.2033 3.4 (2,-1,-1,0)
32.11 2.7878 30.7 (0,0,0,2)
32.27 2.7741 22.6 (2,0,-2,0)
36.17 2.4837 100.0 (2,0,-2,1)
43.01 2.1029 2.4 (2,-1,-1,2)
46.16 1.9664 16.6 (2,0,-2,2)
46.25 1.9628 2.1 (3,-1,-2,1)
51.88 1.7623 1.2 (1,0,-1,3)
54.78 1.6758 1.3 (3,-1,-2,2)
57.55 1.6016 16.9 (4,-2,-2,0)
59.91 1.5440 22.5 (2,0,-2,3)
62.63 1.4833 1.0 (4,-1,-3,1)
67.16 1.3939 3.5 (0,0,0,4)
67.44 1.3888 20.8 (4,-2,-2,2)
67.53 1.3871 2.6 (4,0,-4,0)
69.88 1.3460 14.0 (4,0,-4,1)
76.48 1.2455 3.7 (2,0,-2,4)
76.75 1.2418 3.6 (4,0,-4,2)
87.82 1.1116 7.9 (4,0,-4,3)
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Energy Properties

Formation Energy/atom
0.09102
eV/atom
Energy/atom
-29.05900
eV/atom
Energy above Hull
0.0910
eV/atom
Uncorrected Energy
-29.0590
eV/atom
Volume/atom
24.77
ų
c/a Ratio
0.8703

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

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
A
Score
0.661
Family
Binary Alloy
Matrix Element
Cd · 0.750

Related Tasks

Related computation task IDs (5)
aaadojbc aaadvtpq aaaeknnb aaaepzed aaafbhjp

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1183663
Reference Citation

The crystal structure and related material properties of Cd3Pb were obtained from the Materials Project database (MP-ID: mp-1183663, 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…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Cd3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40654121
_cell_length_b   6.40654121
_cell_length_c   5.57555609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Pb
_chemical_formula_sum   'Cd6 Pb2'
_cell_volume   198.18286024
_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  0.83757721  0.16242279  0.75000000  1.0
  Cd  Cd1  1  0.32484557  0.16242279  0.75000000  1.0
  Cd  Cd2  1  0.83757721  0.67515443  0.75000000  1.0
  Cd  Cd3  1  0.16242279  0.83757721  0.25000000  1.0
  Cd  Cd4  1  0.67515443  0.83757721  0.25000000  1.0
  Cd  Cd5  1  0.16242279  0.32484557  0.25000000  1.0
  Pb  Pb6  1  0.66666700  0.33333300  0.25000000  1.0
  Pb  Pb7  1  0.33333300  0.66666700  0.75000000  1.0
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