Mg14CdGa

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026447 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14CdGa

MP-ID

mp-1026447

Elements

Sites

Density

2.4333

g/cm³

Volume

356.50

Å³

Cell a

6.3055

Cell b

6.3055

Cell c

10.3536

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
8.54	10.3536	3.8	(0,0,0,1)
16.23	5.4607	31.4	(1,0,-1,0)
17.13	5.1768	9.2	(0,0,0,2)
18.37	4.8301	4.4	(1,0,-1,1)
23.68	3.7569	25.9	(1,0,-1,2)
28.31	3.1527	2.8	(2,-1,-1,0)
28.31	3.1527	5.6	(1,1,-2,0)
29.62	3.0160	1.4	(2,-1,-1,1)
30.64	2.9174	1.3	(1,0,-1,3)
32.80	2.7303	27.5	(2,0,-2,0)
33.27	2.6927	3.7	(2,-1,-1,2)
33.27	2.6927	7.4	(1,1,-2,2)
34.66	2.5884	26.6	(0,0,0,4)
37.23	2.4150	100.0	(2,0,-2,2)
38.49	2.3389	7.5	(1,0,-1,4)
43.87	2.0640	5.0	(3,-1,-2,0)
45.33	2.0005	4.6	(2,-1,-1,4)
47.42	1.9172	8.2	(3,-1,-2,2)
48.46	1.8785	17.8	(2,0,-2,4)
50.12	1.8202	1.7	(3,0,-3,0)
53.35	1.7172	2.8	(3,0,-3,2)
55.88	1.6454	1.6	(1,0,-1,6)
57.07	1.6137	4.4	(3,-1,-2,4)
58.56	1.5764	5.5	(4,-2,-2,0)

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Energy Properties

Formation Energy/atom

-0.00774

eV/atom

Energy/atom

-1.68366

eV/atom

Energy above Hull

0.0284

eV/atom

Uncorrected Energy

-1.6837

eV/atom

Volume/atom

22.28

Å³

c/a Ratio

1.6420

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

0.4886

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.986%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1471

smaller = more stable mixing

VEC

2.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.810

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.804

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkkt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026447

Reference Citation

The crystal structure and related material properties of Mg14CdGa were obtained from the Materials Project database (MP-ID: mp-1026447, 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_Mg14CdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30545700
_cell_length_b   6.30545650
_cell_length_c   10.35359669
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000261
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CdGa
_chemical_formula_sum   'Mg14 Cd1 Ga1'
_cell_volume   356.49625044
_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  0.16611966  0.83305933  0.12500000  1.0
  Mg  Mg1  1  0.16657226  0.83328563  0.62500000  1.0
  Mg  Mg2  1  0.66694067  0.33388034  0.12500000  1.0
  Mg  Mg3  1  0.66671437  0.33342774  0.62500000  1.0
  Mg  Mg4  1  0.66694067  0.83305933  0.12500000  1.0
  Mg  Mg5  1  0.66671437  0.83328563  0.62500000  1.0
  Mg  Mg6  1  0.33269339  0.16730661  0.37512488  1.0
  Mg  Mg7  1  0.33269339  0.16730661  0.87487512  1.0
  Mg  Mg8  1  0.33269339  0.66538777  0.37512488  1.0
  Mg  Mg9  1  0.33269339  0.66538777  0.87487512  1.0
  Mg  Mg10  1  0.83461223  0.16730661  0.37512488  1.0
  Mg  Mg11  1  0.83461223  0.16730661  0.87487512  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37461666  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87538334  1.0
  Cd  Cd14  1  0.16666700  0.33333300  0.12500000  1.0
  Ga  Ga15  1  0.16666700  0.33333300  0.62500000  1.0

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