Mg14CdSb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026437 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14CdSb

MP-ID

mp-1026437

Elements

Sites

Density

2.6144

g/cm³

Volume

364.85

Å³

Cell a

6.3774

Cell b

6.3774

Cell c

10.3587

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
16.05	5.5230	46.6	(1,0,-1,0)
17.12	5.1793	13.8	(0,0,0,2)
23.55	3.7780	40.4	(1,0,-1,2)
27.98	3.1887	12.9	(2,-1,-1,0)
32.42	2.7615	29.7	(2,0,-2,0)
32.99	2.7153	16.7	(2,-1,-1,2)
34.64	2.5897	25.6	(0,0,0,4)
36.89	2.4368	100.0	(2,0,-2,2)
38.39	2.3447	10.8	(1,0,-1,4)
43.35	2.0875	8.1	(3,-1,-2,0)
45.10	2.0102	6.9	(2,-1,-1,4)
46.93	1.9361	3.9	(3,-1,-2,2)
46.93	1.9361	7.8	(2,1,-3,2)
48.17	1.8890	19.0	(2,0,-2,4)
49.51	1.8410	2.6	(3,0,-3,0)
52.77	1.7347	2.9	(3,0,-3,2)
52.77	1.7347	1.4	(0,3,-3,2)
55.79	1.6478	3.7	(1,0,-1,6)
56.63	1.6252	4.8	(3,-1,-2,4)
56.63	1.6252	2.4	(1,2,-3,4)
57.83	1.5943	16.6	(4,-2,-2,0)
60.43	1.5318	1.8	(3,1,-4,0)
60.79	1.5238	2.8	(4,-2,-2,2)
61.03	1.5182	2.7	(2,-1,-1,6)

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Energy Properties

Formation Energy/atom

-0.02788

eV/atom

Energy/atom

-1.77260

eV/atom

Energy above Hull

0.0517

eV/atom

Uncorrected Energy

-1.7606

eV/atom

Volume/atom

22.80

Å³

c/a Ratio

1.6243

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

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 · 0.875

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

0.3356

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.592%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1958

smaller = more stable mixing

VEC

2.813

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-10.347

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.788

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkkj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026437

Reference Citation

The crystal structure and related material properties of Mg14CdSb were obtained from the Materials Project database (MP-ID: mp-1026437, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Mg14CdSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37737264
_cell_length_b   6.37737212
_cell_length_c   10.35865045
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CdSb
_chemical_formula_sum   'Mg14 Cd1 Sb1'
_cell_volume   364.85252107
_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  0.16649651  0.83324776  0.12500000  1.0
  Mg  Mg1  1  0.16566484  0.83283192  0.62500000  1.0
  Mg  Mg2  1  0.66675224  0.33350349  0.12500000  1.0
  Mg  Mg3  1  0.66716808  0.33433516  0.62500000  1.0
  Mg  Mg4  1  0.66675224  0.83324776  0.12500000  1.0
  Mg  Mg5  1  0.66716808  0.83283192  0.62500000  1.0
  Mg  Mg6  1  0.33519098  0.16480902  0.37123399  1.0
  Mg  Mg7  1  0.33519098  0.16480902  0.87876601  1.0
  Mg  Mg8  1  0.33519098  0.67038296  0.37123399  1.0
  Mg  Mg9  1  0.33519098  0.67038296  0.87876601  1.0
  Mg  Mg10  1  0.82961704  0.16480902  0.37123399  1.0
  Mg  Mg11  1  0.82961704  0.16480902  0.87876601  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37480750  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87519250  1.0
  Cd  Cd14  1  0.16666700  0.33333300  0.12500000  1.0
  Sb  Sb15  1  0.16666700  0.33333300  0.62500000  1.0

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