MgCd
Traditional Materials TRAMP-ID: mp-1039222 · Space group: Cm (#8)
Basic Information
Formula
MgCd
MP-ID
mp-1039222
Elements
2
Sites
6
Density
5.3371
g/cm³
Volume
127.61
ų
Cell a
6.0754
Å
Cell b
6.0754
Å
Cell c
7.2806
Å
α Angle
74.71
°
β Angle
74.71
°
γ Angle
29.58
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 12.64 | 7.0045 | 90.4 | (0,0,1) |
| 15.68 | 5.6514 | 41.4 | (1,1,0) |
| 17.27 | 5.1359 | 20.2 | (1,1,1) |
| 22.75 | 3.9081 | 1.3 | (1,1,-1) |
| 25.43 | 3.5023 | 33.3 | (0,0,2) |
| 26.02 | 3.4244 | 12.2 | (1,1,2) |
| 29.87 | 2.9909 | 38.2 | (1,0,0) |
| 30.72 | 2.9104 | 12.5 | (2,2,1) |
| 31.66 | 2.8257 | 17.8 | (2,2,0) |
| 31.67 | 2.8253 | 4.6 | (1,0,1) |
| 33.41 | 2.6816 | 49.7 | (1,0,-1) |
| 33.58 | 2.6688 | 27.0 | (1,1,-2) |
| 34.94 | 2.5680 | 80.2 | (2,2,2) |
| 37.43 | 2.4029 | 49.5 | (2,2,-1) |
| 37.53 | 2.3965 | 2.6 | (2,1,1) |
| 37.56 | 2.3945 | 100.0 | (2,1,0) |
| 38.13 | 2.3601 | 97.5 | (1,0,2) |
| 38.56 | 2.3348 | 44.6 | (0,0,3) |
| 41.85 | 2.1587 | 16.0 | (2,1,2) |
| 41.94 | 2.1543 | 16.3 | (2,1,-1) |
| 43.00 | 2.1036 | 4.1 | (2,2,3) |
| 45.93 | 1.9761 | 5.4 | (1,1,-3) |
| 47.65 | 1.9085 | 10.3 | (1,0,3) |
| 48.21 | 1.8877 | 2.4 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.04778
eV/atom
Energy/atom
-1.34302
eV/atom
Energy above Hull
0.0469
eV/atom
Uncorrected Energy
-12.1994
eV/atom
Volume/atom
21.27
ų
c/a Ratio
1.1984
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
Mg · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.678
Family
Mg-based Alloy
Matrix Element
Mg · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1039222
Reference Citation
The crystal structure and related material properties of MgCd were obtained from the Materials Project database (MP-ID: mp-1039222, 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_MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07537507
_cell_length_b 6.07537507
_cell_length_c 7.28058069
_cell_angle_alpha 74.70813974
_cell_angle_beta 74.70813974
_cell_angle_gamma 29.57646340
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgCd
_chemical_formula_sum 'Mg3 Cd3'
_cell_volume 127.60994897
_cell_formula_units_Z 3
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
Mg Mg0 1 0.99672983 0.99672983 0.00651608 1.0
Mg Mg1 1 0.94567173 0.94567173 0.60659602 1.0
Mg Mg2 1 0.66929712 0.66929712 0.66581329 1.0
Cd Cd3 1 0.61059964 0.61059964 0.27920368 1.0
Cd Cd4 1 0.33302450 0.33302450 0.33461291 1.0
Cd Cd5 1 0.27800818 0.27800818 0.94059301 1.0
