Mg2Cd
Traditional Materials TRAMP-ID: mp-1039319 · Space group: C2/m (#12)
Basic Information
Formula
Mg2Cd
MP-ID
mp-1039319
Elements
2
Sites
6
Density
4.1263
g/cm³
Volume
129.60
ų
Cell a
6.1272
Å
Cell b
6.1272
Å
Cell c
7.3053
Å
α Angle
74.54
°
β Angle
74.54
°
γ Angle
29.45
°
Space Group
C2/m
Point Group
2/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 |
|---|---|---|---|
| 12.61 | 7.0224 | 100.0 | (0,0,1) |
| 15.56 | 5.6965 | 1.7 | (1,1,0) |
| 22.65 | 3.9261 | 2.6 | (1,1,-1) |
| 25.37 | 3.5112 | 16.7 | (0,0,2) |
| 29.74 | 3.0041 | 11.3 | (1,0,0) |
| 30.44 | 2.9363 | 12.4 | (2,2,1) |
| 31.41 | 2.8483 | 10.2 | (2,2,0) |
| 31.53 | 2.8376 | 13.2 | (1,0,1) |
| 33.28 | 2.6921 | 18.0 | (1,0,-1) |
| 33.47 | 2.6775 | 8.3 | (1,1,-2) |
| 34.66 | 2.5884 | 31.5 | (2,2,2) |
| 37.19 | 2.4175 | 19.8 | (2,2,-1) |
| 37.30 | 2.4109 | 8.6 | (2,1,1) |
| 37.34 | 2.4081 | 37.8 | (2,1,0) |
| 37.98 | 2.3693 | 36.6 | (1,0,2) |
| 38.46 | 2.3408 | 17.7 | (0,0,3) |
| 40.93 | 2.2049 | 1.6 | (1,0,-2) |
| 41.60 | 2.1708 | 4.2 | (2,1,2) |
| 41.72 | 2.1648 | 9.9 | (2,1,-1) |
| 42.71 | 2.1172 | 5.2 | (2,2,3) |
| 45.79 | 1.9816 | 1.8 | (1,1,-3) |
| 46.25 | 1.9631 | 2.7 | (2,2,-2) |
| 47.47 | 1.9151 | 7.1 | (1,0,3) |
| 47.91 | 1.8988 | 2.8 | (3,3,0) |
Energy Properties
Formation Energy/atom
-0.00691
eV/atom
Energy/atom
-1.41390
eV/atom
Energy above Hull
0.0585
eV/atom
Uncorrected Energy
-9.5282
eV/atom
Volume/atom
21.60
ų
c/a Ratio
1.1923
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 · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.749
Family
Mg-based Alloy
Matrix Element
Mg · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1039319
Reference Citation
The crystal structure and related material properties of Mg2Cd were obtained from the Materials Project database (MP-ID: mp-1039319, 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_Mg2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12717947
_cell_length_b 6.12717947
_cell_length_c 7.30528365
_cell_angle_alpha 74.54040797
_cell_angle_beta 74.54040797
_cell_angle_gamma 29.44511375
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2Cd
_chemical_formula_sum 'Mg4 Cd2'
_cell_volume 129.60043459
_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
Mg Mg0 1 0.30377234 0.30377234 0.14424674 1.0
Mg Mg1 1 0.02684237 0.02684237 0.20147033 1.0
Mg Mg2 1 0.97315763 0.97315763 0.79852967 1.0
Mg Mg3 1 0.69622766 0.69622766 0.85575326 1.0
Cd Cd4 1 0.63805803 0.63805803 0.47291011 1.0
Cd Cd5 1 0.36194197 0.36194197 0.52708989 1.0
