MgCd
Traditional Materials TRAMP-ID: mp-1039463 · Space group: Cm (#8)
Basic Information
Formula
MgCd
MP-ID
mp-1039463
Elements
2
Sites
6
Density
5.3018
g/cm³
Volume
128.46
ų
Cell a
6.0861
Å
Cell b
6.0861
Å
Cell c
7.3401
Å
α Angle
73.95
°
β Angle
73.95
°
γ Angle
29.54
°
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 |
|---|---|---|---|
| 12.59 | 7.0335 | 100.0 | (0,0,1) |
| 15.71 | 5.6392 | 10.7 | (1,1,0) |
| 17.11 | 5.1820 | 15.9 | (1,1,1) |
| 22.86 | 3.8901 | 17.1 | (1,1,-1) |
| 25.33 | 3.5168 | 14.8 | (0,0,2) |
| 25.74 | 3.4615 | 3.9 | (1,1,2) |
| 29.86 | 2.9922 | 1.2 | (1,0,0) |
| 30.60 | 2.9216 | 15.5 | (2,2,1) |
| 31.59 | 2.8319 | 29.8 | (1,0,1) |
| 31.74 | 2.8196 | 6.4 | (2,2,0) |
| 33.42 | 2.6811 | 45.9 | (1,0,-1) |
| 33.67 | 2.6617 | 14.1 | (1,1,-2) |
| 34.62 | 2.5910 | 63.6 | (2,2,2) |
| 37.08 | 2.4246 | 5.3 | (1,1,3) |
| 37.42 | 2.4031 | 16.2 | (2,1,1) |
| 37.58 | 2.3933 | 74.0 | (2,1,0) |
| 37.61 | 2.3915 | 42.1 | (2,2,-1) |
| 37.98 | 2.3694 | 69.6 | (1,0,2) |
| 38.39 | 2.3445 | 40.1 | (0,0,3) |
| 41.06 | 2.1981 | 9.0 | (1,0,-2) |
| 41.60 | 2.1710 | 1.0 | (2,1,2) |
| 42.03 | 2.1495 | 4.2 | (2,1,-1) |
| 42.52 | 2.1263 | 4.1 | (2,2,3) |
| 46.29 | 1.9613 | 2.4 | (3,3,1) |
Energy Properties
Formation Energy/atom
-0.03318
eV/atom
Energy/atom
-1.32842
eV/atom
Energy above Hull
0.0615
eV/atom
Uncorrected Energy
-12.1848
eV/atom
Volume/atom
21.41
ų
c/a Ratio
1.2060
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
0.668
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-1039463
Reference Citation
The crystal structure and related material properties of MgCd were obtained from the Materials Project database (MP-ID: mp-1039463, 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 6.08613263
_cell_length_b 6.08613263
_cell_length_c 7.34010020
_cell_angle_alpha 73.94567960
_cell_angle_beta 73.94567960
_cell_angle_gamma 29.54259126
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgCd
_chemical_formula_sum 'Mg3 Cd3'
_cell_volume 128.45862569
_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 0.60978374 0.60978374 0.27351715 1.0
Mg Mg1 1 0.33536056 0.33536056 0.33198773 1.0
Mg Mg2 1 0.94193632 0.94193632 0.62203570 1.0
Cd Cd3 1 0.00287121 0.00287121 -0.00078094 1.0
Cd Cd4 1 0.66784288 0.66784288 0.65481518 1.0
Cd Cd5 1 0.27553828 0.27553828 0.95175619 1.0
