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Mg3Cd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1039293 · Space group: I4/mmm (#139)

Basic Information

Formula
Mg3Cd
MP-ID
mp-1039293
Elements
2
Sites
4
Density
3.5581
g/cm³
Volume
86.49
ų
Cell a
5.3530
Å
Cell b
5.3530
Å
Cell c
5.3530
Å
α Angle
130.57
°
β Angle
130.57
°
γ Angle
72.49
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
20.57 4.3171 20.7 (1,1,-1)
22.37 3.9738 67.9 (1,0,0)
28.20 3.1650 19.2 (0,0,1)
35.16 2.5525 100.0 (1,1,0)
37.14 2.4208 18.4 (2,1,-1)
40.30 2.2380 33.9 (1,-1,1)
41.85 2.1585 15.2 (2,2,-2)
45.66 1.9869 10.1 (2,0,0)
46.57 1.9500 19.0 (1,0,1)
51.23 1.7833 7.1 (2,2,-1)
55.95 1.6433 10.7 (2,1,0)
57.18 1.6111 5.0 (3,2,-2)
58.31 1.5825 10.9 (0,0,2)
59.50 1.5537 20.5 (3,1,-1)
62.51 1.4858 3.8 (1,1,1)
63.25 1.4702 3.6 (2,-1,1)
66.00 1.4154 3.2 (1,-1,2)
69.94 1.3450 24.6 (2,0,1)
71.18 1.3246 2.6 (3,0,0)
72.10 1.3100 11.2 (3,3,-2)
72.26 1.3075 4.9 (3,2,-1)
74.32 1.2763 10.2 (2,2,0)
77.71 1.2288 4.0 (1,0,2)
79.12 1.2104 1.9 (4,2,-2)
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Energy Properties

Formation Energy/atom
-0.01302
eV/atom
Energy/atom
-1.47587
eV/atom
Energy above Hull
0.0379
eV/atom
Uncorrected Energy
-8.1901
eV/atom
Volume/atom
21.62
ų
c/a Ratio
1.0000

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

KVRH
38.235
GPa
GVRH
12.876
GPa
Young's Modulus E
34.730
GPa
Poisson Ratio ν
0.349
Pugh Ratio K/G
2.969
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
3.471
Lame λ
29.651
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 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
0.781
Family
Mg-based Alloy
Matrix Element
Mg · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
3.4710
Homogeneous Poisson ν
0.3490
Debye Temperature
228.5
K
Sound Velocity
2,138.4
m/s
Homogeneity
0.3490

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1039293
Reference Citation

The crystal structure and related material properties of Mg3Cd were obtained from the Materials Project database (MP-ID: mp-1039293, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Mg3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35298423
_cell_length_b   5.35298423
_cell_length_c   5.35298423
_cell_angle_alpha   130.57250906
_cell_angle_beta   130.57250906
_cell_angle_gamma   72.49315854
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Cd
_chemical_formula_sum   'Mg3 Cd1'
_cell_volume   86.49094479
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.00000000  1.0
  Mg  Mg1  1  0.25000000  0.75000000  0.50000000  1.0
  Mg  Mg2  1  0.75000000  0.25000000  0.50000000  1.0
  Cd  Cd3  1  0.00000000  0.00000000  0.00000000  1.0
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