La3Cd
Traditional Materials TRAMP-ID: mp-1185113 · Space group: P6_3/mmc (#194)
Basic Information
Formula
La3Cd
MP-ID
mp-1185113
Elements
2
Sites
8
Density
6.8031
g/cm³
Volume
258.31
ų
Cell a
7.2751
Å
Cell b
7.2751
Å
Cell c
5.6355
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 14.06 | 6.3004 | 1.5 | (1,0,-1,0) |
| 21.15 | 4.2004 | 2.6 | (1,0,-1,1) |
| 21.15 | 4.2004 | 1.3 | (0,1,-1,1) |
| 28.33 | 3.1502 | 24.1 | (2,0,-2,0) |
| 28.33 | 3.1502 | 12.1 | (0,2,-2,0) |
| 31.76 | 2.8178 | 37.2 | (0,0,0,2) |
| 32.56 | 2.7497 | 100.0 | (2,0,-2,1) |
| 32.56 | 2.7497 | 50.0 | (0,2,-2,1) |
| 37.78 | 2.3813 | 1.2 | (3,-1,-2,0) |
| 37.78 | 2.3813 | 1.2 | (1,2,-3,0) |
| 43.07 | 2.1002 | 15.4 | (2,0,-2,2) |
| 43.07 | 2.1002 | 7.7 | (0,2,-2,2) |
| 46.13 | 1.9679 | 1.7 | (3,-3,0,1) |
| 46.13 | 1.9679 | 1.7 | (3,0,-3,1) |
| 46.13 | 1.9679 | 1.7 | (0,3,-3,1) |
| 50.16 | 1.8188 | 1.1 | (3,-1,-2,2) |
| 50.16 | 1.8188 | 1.1 | (2,1,-3,2) |
| 50.16 | 1.8188 | 1.1 | (1,2,-3,2) |
| 50.16 | 1.8188 | 9.0 | (4,-2,-2,0) |
| 50.16 | 1.8188 | 9.0 | (2,-4,2,0) |
| 50.16 | 1.8188 | 9.0 | (2,2,-4,0) |
| 57.09 | 1.6134 | 9.9 | (2,-2,0,3) |
| 57.09 | 1.6134 | 9.9 | (2,0,-2,3) |
| 57.09 | 1.6134 | 9.9 | (0,2,-2,3) |
Energy Properties
Formation Energy/atom
-0.10719
eV/atom
Energy/atom
-4.04920
eV/atom
Energy above Hull
0.0458
eV/atom
Uncorrected Energy
-27.5032
eV/atom
Volume/atom
32.29
ų
c/a Ratio
0.7746
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
La · 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
0.611
Family
Binary Alloy
Matrix Element
La · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1185113
Reference Citation
The crystal structure and related material properties of La3Cd were obtained from the Materials Project database (MP-ID: mp-1185113, 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_La3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.27505262
_cell_length_b 7.27504659
_cell_length_c 5.63549186
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00003178
_symmetry_Int_Tables_number 1
_chemical_formula_structural La3Cd
_chemical_formula_sum 'La6 Cd2'
_cell_volume 258.30584714
_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
La La0 1 0.17981973 0.35963946 0.25000000 1.0
La La1 1 0.64035954 0.82018027 0.25000000 1.0
La La2 1 0.17982073 0.82018027 0.25000000 1.0
La La3 1 0.82018027 0.64036054 0.75000000 1.0
La La4 1 0.35964046 0.17981973 0.75000000 1.0
La La5 1 0.82017927 0.17981973 0.75000000 1.0
Cd Cd6 1 0.33333300 0.66666700 0.75000000 1.0
Cd Cd7 1 0.66666700 0.33333300 0.25000000 1.0
