MgCd2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-972954 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

MgCd2

MP-ID

mp-972954

Elements

Sites

Density

6.5104

g/cm³

Volume

127.08

Å³

Cell a

5.0079

Cell b

5.4132

Cell c

5.4132

α Angle

60.00

β Angle

90.00

γ Angle

90.00

Space Group

P-62m

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
17.71	5.0079	17.2	(1,0,-1,0)
18.93	4.6879	7.8	(0,0,0,1)
18.93	4.6879	3.9	(0,1,-1,0)
26.04	3.4224	3.3	(1,0,-1,1)
26.04	3.4224	6.6	(1,1,-2,1)
33.10	2.7066	21.0	(0,1,-1,2)
33.10	2.7066	10.5	(0,2,-2,1)
35.86	2.5040	24.7	(2,0,-2,0)
37.78	2.3811	100.0	(1,1,-2,2)
38.40	2.3440	1.1	(0,2,-2,2)
40.86	2.2087	3.3	(2,0,-2,1)
42.59	2.1229	1.0	(1,0,-1,2)
42.59	2.1229	2.0	(1,2,-3,2)
49.60	1.8380	6.5	(2,1,-3,2)
49.60	1.8380	13.0	(2,1,-3,-1)
54.97	1.6704	1.3	(1,1,-2,3)
59.12	1.5627	5.5	(0,0,0,3)
59.12	1.5627	5.5	(0,3,-3,3)
59.12	1.5627	5.5	(0,3,-3,0)
62.24	1.4917	1.1	(1,0,-1,3)
62.24	1.4917	2.3	(1,3,-4,3)
65.72	1.4208	18.3	(3,1,-4,2)
69.45	1.3533	2.3	(0,2,-2,4)
69.45	1.3533	1.1	(0,4,-4,2)

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Energy Properties

Formation Energy/atom

-0.01047

eV/atom

Energy/atom

-1.19396

eV/atom

Energy above Hull

0.0526

eV/atom

Uncorrected Energy

-14.8409

eV/atom

Volume/atom

21.18

Å³

c/a Ratio

1.0809

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

42.980

GPa

G_VRH

4.888

GPa

Young's Modulus E

14.128

GPa

Poisson Ratio ν

0.445

Pugh Ratio K/G

8.793

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

5.766

Lame λ

39.721

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cd · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.668

Family

Binary Alloy

Matrix Element

Cd · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

5.7660

Homogeneous Poisson ν

0.4450

Debye Temperature

106.2

Sound Velocity

986.8

m/s

Homogeneity

0.4450

Related Tasks

Related computation task IDs (2)

aaacdjjk aaaemdfg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-972954

Reference Citation

The crystal structure and related material properties of MgCd2 were obtained from the Materials Project database (MP-ID: mp-972954, 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_MgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00791481
_cell_length_b   5.41316776
_cell_length_c   5.41316953
_cell_angle_alpha   60.00000790
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2
_chemical_formula_sum   'Mg2 Cd4'
_cell_volume   127.08395249
_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  0.50000000  0.66666600  0.33333400  1.0
  Mg  Mg1  1  0.50000000  0.99999900  0.66666900  1.0
  Cd  Cd2  1  -0.00000000  0.00184305  0.00000100  1.0
  Cd  Cd3  1  0.50000000  0.33333300  -0.00000000  1.0
  Cd  Cd4  1  -0.00000000  0.33333300  0.33148795  1.0
  Cd  Cd5  1  0.00000000  0.66482195  0.66851305  1.0

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