MgCd

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1038767 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

MgCd

MP-ID

mp-1038767

Elements

Sites

Density

5.3440

g/cm³

Volume

84.96

Å³

Cell a

5.9351

Cell b

5.9351

Cell c

5.2667

α Angle

66.45

β Angle

66.45

γ Angle

30.21

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
18.51	4.7944	7.1	(0,0,1)
19.27	4.6051	100.0	(1,1,1)
30.09	2.9701	32.2	(1,1,-1)
30.14	2.9652	33.4	(1,0,0)
33.62	2.6661	34.3	(1,0,1)
34.09	2.6301	14.4	(1,1,2)
34.39	2.6081	61.4	(2,2,0)
37.49	2.3988	72.8	(1,0,-1)
37.52	2.3972	36.7	(0,0,2)
38.30	2.3499	65.9	(2,1,1)
38.97	2.3110	20.1	(2,1,0)
39.12	2.3025	33.5	(2,2,2)
45.79	1.9817	19.7	(1,0,2)
45.99	1.9736	1.3	(2,2,-1)
46.48	1.9538	2.5	(2,1,2)
47.69	1.9070	9.6	(3,3,1)
47.87	1.9001	6.0	(1,1,-2)
48.19	1.8885	10.8	(2,1,-1)
49.51	1.8411	12.2	(3,2,1)
50.50	1.8072	4.0	(3,3,2)
52.49	1.7435	4.1	(1,1,3)
52.94	1.7297	5.3	(3,2,0)
53.42	1.7151	2.5	(2,2,3)
53.66	1.7081	11.4	(3,2,2)

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Energy Properties

Formation Energy/atom

-0.05645

eV/atom

Energy/atom

-1.35169

eV/atom

Energy above Hull

0.0382

eV/atom

Uncorrected Energy

-12.2080

eV/atom

Volume/atom

21.24

Å³

c/a Ratio

0.8874

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

41.755

GPa

G_VRH

20.186

GPa

Young's Modulus E

52.154

GPa

Poisson Ratio ν

0.292

Pugh Ratio K/G

2.069

Vickers Hardness Est.

1.956

GPa

Ductility

Brittle

Anisotropy

0.740

Lame λ

28.298

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

Score

0.684

Family

Mg-based Alloy

Matrix Element

Mg · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7400

Homogeneous Poisson ν

0.2920

Debye Temperature

233.1

Sound Velocity

2,168.7

m/s

Homogeneity

0.2920

Related Tasks

Related computation task IDs (1)

aaaeluna

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1038767

Reference Citation

The crystal structure and related material properties of MgCd were obtained from the Materials Project database (MP-ID: mp-1038767, 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   5.93505824
_cell_length_b   5.93505824
_cell_length_c   5.26673818
_cell_angle_alpha   66.44510618
_cell_angle_beta   66.44510618
_cell_angle_gamma   30.20521109
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd
_chemical_formula_sum   'Mg2 Cd2'
_cell_volume   84.96395938
_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  0.87840633  0.87840633  0.79198526  1.0
  Mg  Mg1  1  0.12159367  0.12159367  0.20801474  1.0
  Cd  Cd2  1  0.62726650  0.62726650  0.70942050  1.0
  Cd  Cd3  1  0.37273350  0.37273350  0.29057950  1.0

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