Mg14CdC

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1026448 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14CdC

MP-ID

mp-1026448

Elements

Sites

Density

2.2807

g/cm³

Volume

338.33

Å³

Cell a

6.2568

Cell b

6.2568

Cell c

9.9793

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
8.86	9.9793	32.2	(0,0,0,1)
16.36	5.4186	23.4	(1,0,-1,0)
17.78	4.9896	5.7	(0,0,0,2)
18.63	4.7619	33.2	(1,0,-1,1)
18.63	4.7619	16.6	(0,1,-1,1)
24.25	3.6705	12.6	(1,0,-1,2)
26.80	3.3264	7.4	(0,0,0,3)
28.53	3.1284	5.2	(2,-1,-1,0)
29.93	2.9852	19.2	(2,-1,-1,1)
31.56	2.8349	18.7	(1,0,-1,3)
33.06	2.7093	39.2	(2,0,-2,0)
33.82	2.6505	6.1	(2,-1,-1,2)
34.30	2.6146	13.9	(2,0,-2,1)
36.00	2.4948	36.9	(0,0,0,4)
37.78	2.3809	100.0	(2,0,-2,2)
37.78	2.3809	50.0	(0,2,-2,2)
39.54	2.2789	5.9	(2,-1,-1,3)
39.78	2.2662	4.6	(1,0,-1,4)
43.06	2.1007	5.0	(2,0,-2,3)
44.22	2.0480	1.9	(3,-1,-2,0)
45.20	2.0062	11.1	(3,-1,-2,1)
46.56	1.9505	2.7	(2,-1,-1,4)
48.02	1.8946	6.5	(3,-1,-2,2)
48.61	1.8729	3.3	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

0.28924

eV/atom

Energy/atom

-1.77435

eV/atom

Energy above Hull

0.3020

eV/atom

Uncorrected Energy

-1.7744

eV/atom

Volume/atom

21.15

Å³

c/a Ratio

1.5949

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

0.063

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

0.3389

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.007%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3080

smaller = more stable mixing

VEC

2.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-12.319

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.623

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgkku

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026448

Reference Citation

The crystal structure and related material properties of Mg14CdC were obtained from the Materials Project database (MP-ID: mp-1026448, 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_Mg14CdC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25683436
_cell_length_b   6.25683387
_cell_length_c   9.97925282
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000258
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CdC
_chemical_formula_sum   'Mg14 Cd1 C1'
_cell_volume   338.32798929
_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  0.16941496  0.83470698  0.12500000  1.0
  Mg  Mg1  1  0.16040227  0.83020063  0.62500000  1.0
  Mg  Mg2  1  0.66529302  0.33058504  0.12500000  1.0
  Mg  Mg3  1  0.66979937  0.33959773  0.62500000  1.0
  Mg  Mg4  1  0.66529302  0.83470698  0.12500000  1.0
  Mg  Mg5  1  0.66979937  0.83020063  0.62500000  1.0
  Mg  Mg6  1  0.32667691  0.17332309  0.38984646  1.0
  Mg  Mg7  1  0.32667691  0.17332309  0.86015354  1.0
  Mg  Mg8  1  0.32667691  0.65335482  0.38984646  1.0
  Mg  Mg9  1  0.32667691  0.65335482  0.86015354  1.0
  Mg  Mg10  1  0.84664518  0.17332309  0.38984646  1.0
  Mg  Mg11  1  0.84664518  0.17332309  0.86015354  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37249974  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87750026  1.0
  Cd  Cd14  1  0.16666700  0.33333300  0.12500000  1.0
  C  C15  1  0.16666700  0.33333300  0.62500000  1.0

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