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MgCd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-978274 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula
MgCd
MP-ID
mp-978274
Elements
2
Sites
6
Density
5.3937
g/cm³
Volume
126.27
ų
Cell a
3.2426
Å
Cell b
8.0750
Å
Cell c
4.9226
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
78.42
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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)
2θd (Å)Ihkl
11.19 7.9106 10.0 (0,1,0)
18.02 4.9226 8.6 (0,0,1)
21.26 4.1795 42.7 (0,1,1)
22.48 3.9553 7.4 (0,2,0)
28.09 3.1766 23.1 (1,0,0)
28.96 3.0833 13.6 (0,2,1)
32.41 2.7622 22.4 (1,-1,0)
34.00 2.6369 15.0 (0,3,0)
36.51 2.4613 33.2 (0,0,2)
37.33 2.4089 100.0 (1,-1,1)
38.30 2.3502 1.1 (0,1,2)
38.74 2.3244 37.8 (0,3,1)
39.80 2.2647 2.3 (1,-2,0)
39.80 2.2647 2.3 (1,3,0)
43.30 2.0897 2.6 (0,2,2)
44.01 2.0574 3.8 (1,-2,1)
44.01 2.0574 3.8 (1,3,1)
45.89 1.9776 3.0 (0,4,0)
46.69 1.9456 11.2 (1,0,2)
49.61 1.8376 13.1 (1,-1,2)
50.74 1.7993 9.2 (0,3,2)
52.76 1.7352 6.3 (1,-3,1)
55.11 1.6666 3.4 (1,-2,2)
56.78 1.6213 8.8 (2,1,0)
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Energy Properties

Formation Energy/atom
-0.06528
eV/atom
Energy/atom
-1.36052
eV/atom
Energy above Hull
0.0294
eV/atom
Uncorrected Energy
-12.2169
eV/atom
Volume/atom
21.05
ų
c/a Ratio
1.5181

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
42.072
GPa
GVRH
13.131
GPa
Young's Modulus E
35.681
GPa
Poisson Ratio ν
0.359
Pugh Ratio K/G
3.204
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
1.234
Lame λ
33.318
GPa

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
0.690
Family
Mg-based Alloy
Matrix Element
Mg · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.2340
Homogeneous Poisson ν
0.3590
Debye Temperature
189.3
K
Sound Velocity
1,756.3
m/s
Homogeneity
0.3590

Related Tasks

Related computation task IDs (1)
aaaeleor

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-978274
Reference Citation

The crystal structure and related material properties of MgCd were obtained from the Materials Project database (MP-ID: mp-978274, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_MgCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24261455
_cell_length_b   8.07499956
_cell_length_c   4.92264423
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.41736453
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd
_chemical_formula_sum   'Mg3 Cd3'
_cell_volume   126.27026287
_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  0.99431608  0.01136984  -0.00000000  1.0
  Mg  Mg1  1  0.66553126  0.66894047  0.00000000  1.0
  Mg  Mg2  1  0.78247248  0.43505705  0.50000000  1.0
  Cd  Cd3  1  0.33086871  0.33826359  -0.00000000  1.0
  Cd  Cd4  1  0.44666981  0.10666039  0.50000000  1.0
  Cd  Cd5  1  0.11347967  0.77304166  0.50000000  1.0
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