Cd3Pt
Traditional Materials TRAMP-ID: mp-1183654 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Cd3Pt
MP-ID
mp-1183654
Elements
2
Sites
8
Density
11.8104
g/cm³
Volume
149.69
ų
Cell a
5.9963
Å
Cell b
5.9963
Å
Cell c
4.8071
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 19)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 17.07 | 5.1930 | 4.3 | (1,0,-1,0) |
| 25.25 | 3.5277 | 5.1 | (1,0,-1,1) |
| 29.80 | 2.9982 | 2.9 | (2,-1,-1,0) |
| 34.54 | 2.5965 | 24.1 | (2,0,-2,0) |
| 37.42 | 2.4036 | 25.9 | (0,0,0,2) |
| 39.44 | 2.2845 | 100.0 | (2,0,-2,1) |
| 41.39 | 2.1812 | 1.0 | (1,0,-1,2) |
| 48.55 | 1.8753 | 1.1 | (2,-1,-1,2) |
| 50.21 | 1.8171 | 3.1 | (3,-1,-2,1) |
| 51.83 | 1.7638 | 14.9 | (2,0,-2,2) |
| 61.90 | 1.4991 | 17.1 | (4,-2,-2,0) |
| 68.85 | 1.3636 | 18.6 | (2,0,-2,3) |
| 72.86 | 1.2982 | 1.7 | (4,0,-4,0) |
| 74.61 | 1.2720 | 19.6 | (4,-2,-2,2) |
| 75.92 | 1.2533 | 9.3 | (4,0,-4,1) |
| 75.92 | 1.2533 | 4.7 | (4,-4,0,1) |
| 79.81 | 1.2018 | 2.8 | (0,0,0,4) |
| 84.89 | 1.1423 | 3.5 | (4,0,-4,2) |
| 89.96 | 1.0906 | 3.2 | (2,0,-2,4) |
Energy Properties
Formation Energy/atom
-0.15544
eV/atom
Energy/atom
-2.39323
eV/atom
Energy above Hull
0.0020
eV/atom
Uncorrected Energy
-28.1876
eV/atom
Volume/atom
18.71
ų
c/a Ratio
0.8017
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
0.720
Family
Binary Alloy
Matrix Element
Cd · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1183654
Reference Citation
The crystal structure and related material properties of Cd3Pt were obtained from the Materials Project database (MP-ID: mp-1183654, 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_Cd3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99632470
_cell_length_b 5.99632470
_cell_length_c 4.80710239
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999915
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd3Pt
_chemical_formula_sum 'Cd6 Pt2'
_cell_volume 149.68707155
_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 0.17096861 0.34193522 0.25000000 1.0
Cd Cd1 1 0.65806478 0.82903139 0.25000000 1.0
Cd Cd2 1 0.17096861 0.82903139 0.25000000 1.0
Cd Cd3 1 0.82903139 0.65806478 0.75000000 1.0
Cd Cd4 1 0.34193522 0.17096861 0.75000000 1.0
Cd Cd5 1 0.82903139 0.17096861 0.75000000 1.0
Pt Pt6 1 0.33333300 0.66666700 0.75000000 1.0
Pt Pt7 1 0.66666700 0.33333300 0.25000000 1.0
