Mg15Cd

Traditional Materials TRA

MP-ID: mp-1023489 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg15Cd

MP-ID

mp-1023489

Elements

Sites

Density

2.2398

g/cm³

Volume

353.63

Å³

Cell a

6.3367

Cell b

6.3367

Cell c

10.1694

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

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
8.70	10.1694	32.1	(0,0,0,1)
16.15	5.4878	24.5	(1,0,-1,0)
17.44	5.0847	6.9	(0,0,0,2)
18.37	4.8294	37.1	(1,0,-1,1)
23.86	3.7298	19.9	(1,0,-1,2)
26.29	3.3898	2.2	(0,0,0,3)
28.17	3.1684	4.4	(2,-1,-1,0)
28.17	3.1684	2.2	(1,1,-2,0)
29.53	3.0249	7.6	(2,-1,-1,1)
29.53	3.0249	3.8	(1,1,-2,1)
31.01	2.8840	3.3	(1,-1,0,3)
31.01	2.8840	6.6	(1,0,-1,3)
32.64	2.7439	13.0	(2,-2,0,0)
32.64	2.7439	26.1	(2,0,-2,0)
33.32	2.6890	5.7	(2,-1,-1,2)
33.32	2.6890	2.8	(1,1,-2,2)
33.84	2.6491	2.6	(2,-2,0,1)
33.84	2.6491	5.3	(2,0,-2,1)
35.30	2.5423	38.3	(0,0,0,4)
37.24	2.4147	50.0	(2,-2,0,2)
37.24	2.4147	100.0	(2,0,-2,2)
38.91	2.3147	3.9	(2,-1,-1,3)
38.91	2.3147	2.0	(1,1,-2,3)
39.05	2.3068	1.8	(1,-1,0,4)

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Energy Properties

Formation Energy/atom

0.02113

eV/atom

Energy/atom

-1.56743

eV/atom

Energy above Hull

0.0339

eV/atom

Uncorrected Energy

-5.1737

eV/atom

Volume/atom

22.10

Å³

c/a Ratio

1.6048

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.938

Element Family

N/A

Solute Fraction

0.063

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.738

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (2)

aaacggns aaaelvrm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023489

Reference Citation

The crystal structure and related material properties of Mg15Cd were obtained from the Materials Project database (MP-ID: mp-1023489, 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_Mg15Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33671823
_cell_length_b   6.33671823
_cell_length_c   10.16935755
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Cd
_chemical_formula_sum   'Mg15 Cd1'
_cell_volume   353.63307594
_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  0.66666700  0.33333300  0.50000000  1.0
  Mg  Mg1  1  0.16601478  0.33203057  -0.00000000  1.0
  Mg  Mg2  1  0.16700308  0.33400717  0.50000000  1.0
  Mg  Mg3  1  0.16601478  0.83398522  0.00000000  1.0
  Mg  Mg4  1  0.16700308  0.83299692  0.50000000  1.0
  Mg  Mg5  1  0.66796943  0.83398522  -0.00000000  1.0
  Mg  Mg6  1  0.66599283  0.83299692  0.50000000  1.0
  Mg  Mg7  1  0.99976619  0.49988260  0.24730902  1.0
  Mg  Mg8  1  0.99976619  0.49988260  0.75269098  1.0
  Mg  Mg9  1  0.50011740  0.49988260  0.24730902  1.0
  Mg  Mg10  1  0.50011740  0.49988260  0.75269098  1.0
  Mg  Mg11  1  0.50011740  0.00023381  0.24730902  1.0
  Mg  Mg12  1  0.50011740  0.00023381  0.75269098  1.0
  Mg  Mg13  1  0.00000000  0.00000000  0.25052291  1.0
  Mg  Mg14  1  0.00000000  0.00000000  0.74947709  1.0
  Cd  Cd15  1  0.66666700  0.33333300  -0.00000000  1.0

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