Mg14CdCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028393 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14CdCo

MP-ID

mp-1028393

Elements

Sites

Density

2.5063

g/cm³

Volume

338.97

Å³

Cell a

6.2849

Cell b

6.2849

Cell c

9.9092

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
8.92	9.9092	5.6	(0,0,0,1)
16.29	5.4429	49.2	(1,0,-1,0)
17.90	4.9546	12.0	(0,0,0,2)
18.60	4.7706	9.9	(1,0,-1,1)
24.29	3.6639	30.4	(1,0,-1,2)
26.99	3.3031	1.8	(0,0,0,3)
28.40	3.1425	11.8	(2,-1,-1,0)
29.83	2.9954	4.1	(2,-1,-1,1)
31.69	2.8238	4.1	(1,0,-1,3)
32.91	2.7215	28.1	(2,0,-2,0)
32.91	2.7215	14.1	(0,2,-2,0)
33.78	2.6537	14.4	(2,-1,-1,2)
34.17	2.6243	3.0	(2,0,-2,1)
36.26	2.4773	36.2	(0,0,0,4)
37.71	2.3853	100.0	(2,0,-2,2)
37.71	2.3853	50.0	(0,2,-2,2)
39.99	2.2547	10.1	(1,0,-1,4)
44.02	2.0572	5.3	(3,-1,-2,0)
45.01	2.0143	1.5	(3,-1,-2,1)
46.69	1.9455	2.0	(2,-1,-1,4)
46.69	1.9455	4.0	(1,1,-2,4)
47.88	1.9000	13.4	(3,-1,-2,2)
49.77	1.8320	25.0	(2,0,-2,4)
50.29	1.8143	1.5	(3,0,-3,0)

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Energy Properties

Formation Energy/atom

0.07482

eV/atom

Energy/atom

-1.85768

eV/atom

Energy above Hull

0.0881

eV/atom

Uncorrected Energy

-1.8577

eV/atom

Volume/atom

21.19

Å³

c/a Ratio

1.5767

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.4774

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004360

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

0.3527

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.473%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1606

smaller = more stable mixing

VEC

3.063

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.434

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.764

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnhp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028393

Reference Citation

The crystal structure and related material properties of Mg14CdCo were obtained from the Materials Project database (MP-ID: mp-1028393, 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_Mg14CdCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28491809
_cell_length_b   6.28491760
_cell_length_c   9.90916743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000262
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CdCo
_chemical_formula_sum   'Mg14 Cd1 Co1'
_cell_volume   338.97447516
_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  0.16310904  0.83155402  0.12500000  1.0
  Mg  Mg1  1  0.16824142  0.83412021  0.62500000  1.0
  Mg  Mg2  1  0.66844598  0.33689096  0.12500000  1.0
  Mg  Mg3  1  0.66587979  0.33175858  0.62500000  1.0
  Mg  Mg4  1  0.66844598  0.83155402  0.12500000  1.0
  Mg  Mg5  1  0.66587979  0.83412021  0.62500000  1.0
  Mg  Mg6  1  0.32648009  0.17351991  0.36454539  1.0
  Mg  Mg7  1  0.32648009  0.17351991  0.88545461  1.0
  Mg  Mg8  1  0.32648009  0.65296117  0.36454539  1.0
  Mg  Mg9  1  0.32648009  0.65296117  0.88545461  1.0
  Mg  Mg10  1  0.84703883  0.17351991  0.36454539  1.0
  Mg  Mg11  1  0.84703883  0.17351991  0.88545461  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37712358  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87287642  1.0
  Cd  Cd14  1  0.16666700  0.33333300  0.62500000  1.0
  Co  Co15  1  0.16666700  0.33333300  0.12500000  1.0

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