Mg14CdCo

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028399 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CdCo

MP-ID

mp-1028399

Elements

Sites

Density

2.4935

g/cm³

Volume

340.71

Å³

Cell a

6.2961

Cell b

6.3304

Cell c

9.8888

α Angle

90.00

β Angle

90.00

γ Angle

120.18

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
8.94	9.8888	100.0	(0,0,1)
16.20	5.4723	2.7	(1,-1,0)
16.20	5.4723	2.7	(0,1,0)
16.29	5.4426	25.3	(1,0,0)
17.94	4.9444	18.8	(0,0,2)
18.53	4.7881	9.9	(1,-1,1)
18.61	4.7681	35.9	(1,0,1)
24.26	3.6687	8.0	(1,-1,2)
24.32	3.6597	15.8	(1,0,2)
27.05	3.2963	3.0	(0,0,3)
28.19	3.1652	6.2	(1,-2,0)
28.35	3.1480	2.0	(2,-1,0)
29.63	3.0146	9.3	(1,-2,1)
29.78	2.9997	4.4	(2,-1,1)
31.69	2.8236	2.3	(1,-1,3)
31.69	2.8236	2.3	(0,1,3)
31.74	2.8195	7.4	(1,0,3)
32.73	2.7362	43.5	(2,-2,0)
32.91	2.7213	22.0	(2,0,0)
33.62	2.6658	7.3	(1,-2,2)
33.75	2.6555	2.8	(2,-1,2)
34.00	2.6371	13.3	(2,-2,1)
34.17	2.6238	6.6	(2,0,1)
36.34	2.4722	53.9	(0,0,4)

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Energy Properties

Formation Energy/atom

0.08416

eV/atom

Energy/atom

-1.84834

eV/atom

Energy above Hull

0.0975

eV/atom

Uncorrected Energy

-1.8483

eV/atom

Volume/atom

21.29

Å³

c/a Ratio

1.5706

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0251

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000070

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

0.758

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgnhv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028399

Reference Citation

The crystal structure and related material properties of Mg14CdCo were obtained from the Materials Project database (MP-ID: mp-1028399, 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   6.29605846
_cell_length_b   6.33044413
_cell_length_c   9.88881896
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.18083398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CdCo
_chemical_formula_sum   'Mg14 Cd1 Co1'
_cell_volume   340.70909709
_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  0.16775398  0.33387649  0.62500000  1.0
  Mg  Mg1  1  0.17127184  0.83563542  0.62500000  1.0
  Mg  Mg2  1  0.67431999  0.33879763  0.12500000  1.0
  Mg  Mg3  1  0.66471349  0.32964289  0.62500000  1.0
  Mg  Mg4  1  0.67431999  0.83552136  0.12500000  1.0
  Mg  Mg5  1  0.66471349  0.83506961  0.62500000  1.0
  Mg  Mg6  1  0.32509749  0.17299528  0.35748997  1.0
  Mg  Mg7  1  0.32509749  0.17299528  0.89251003  1.0
  Mg  Mg8  1  0.32509749  0.65210321  0.35748997  1.0
  Mg  Mg9  1  0.32509749  0.65210321  0.89251003  1.0
  Mg  Mg10  1  0.84519548  0.17259824  0.36323812  1.0
  Mg  Mg11  1  0.84519548  0.17259824  0.88676188  1.0
  Mg  Mg12  1  0.83218502  0.66609301  0.37886217  1.0
  Mg  Mg13  1  0.83218502  0.66609301  0.87113783  1.0
  Cd  Cd14  1  0.16265097  0.83132499  0.12500000  1.0
  Co  Co15  1  0.16510528  0.33255214  0.12500000  1.0

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