YMg14Cd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028024 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

YMg14Cd

MP-ID

mp-1028024

Elements

Sites

Density

2.3801

g/cm³

Volume

377.85

Å³

Cell a

6.4676

Cell b

6.4676

Cell c

10.4305

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
8.48	10.4305	1.5	(0,0,0,1)
15.82	5.6011	37.8	(1,0,-1,0)
17.00	5.2153	10.8	(0,0,0,2)
17.98	4.9346	1.4	(1,0,-1,1)
23.31	3.8169	30.9	(1,0,-1,2)
27.58	3.2338	10.2	(2,-1,-1,0)
31.96	2.8005	19.0	(2,0,-2,0)
31.96	2.8005	9.5	(0,2,-2,0)
32.58	2.7483	13.1	(2,-1,-1,2)
34.39	2.6076	25.4	(0,0,0,4)
36.41	2.4673	100.0	(2,0,-2,2)
38.07	2.3640	8.5	(1,0,-1,4)
42.71	2.1170	6.1	(3,-1,-2,0)
44.64	2.0299	5.4	(2,-1,-1,4)
46.28	1.9616	9.6	(3,-1,-2,2)
47.65	1.9084	18.0	(2,0,-2,4)
48.78	1.8670	1.4	(3,0,-3,0)
52.03	1.7578	3.3	(3,0,-3,2)
55.33	1.6603	2.8	(1,0,-1,6)
55.95	1.6436	1.8	(3,-1,-2,4)
55.95	1.6436	3.6	(2,1,-3,4)
56.95	1.6169	5.6	(4,-2,-2,0)
56.95	1.6169	11.3	(2,2,-4,0)
59.51	1.5535	1.5	(3,1,-4,0)

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Energy Properties

Formation Energy/atom

0.01127

eV/atom

Energy/atom

-1.88221

eV/atom

Energy above Hull

0.0537

eV/atom

Uncorrected Energy

-1.8822

eV/atom

Volume/atom

23.62

Å³

c/a Ratio

1.6127

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

0.4673

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

3.385%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0959

smaller = more stable mixing

VEC

2.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-7.892

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.787

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmtk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028024

Reference Citation

The crystal structure and related material properties of YMg14Cd were obtained from the Materials Project database (MP-ID: mp-1028024, 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_YMg14Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46757402
_cell_length_b   6.46757347
_cell_length_c   10.43051179
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg14Cd
_chemical_formula_sum   'Y1 Mg14 Cd1'
_cell_volume   377.84964336
_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
  Y  Y0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17807059  0.83903479  0.12500000  1.0
  Mg  Mg2  1  0.16395359  0.83197629  0.62500000  1.0
  Mg  Mg3  1  0.66096521  0.32192941  0.12500000  1.0
  Mg  Mg4  1  0.66802371  0.33604641  0.62500000  1.0
  Mg  Mg5  1  0.66096521  0.83903479  0.12500000  1.0
  Mg  Mg6  1  0.66802371  0.83197629  0.62500000  1.0
  Mg  Mg7  1  0.33332006  0.16667994  0.38110156  1.0
  Mg  Mg8  1  0.33332006  0.16667994  0.86889844  1.0
  Mg  Mg9  1  0.33332006  0.66664111  0.38110156  1.0
  Mg  Mg10  1  0.33332006  0.66664111  0.86889844  1.0
  Mg  Mg11  1  0.83335889  0.16667994  0.38110156  1.0
  Mg  Mg12  1  0.83335889  0.16667994  0.86889844  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.37112203  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.87887797  1.0
  Cd  Cd15  1  0.16666700  0.33333300  0.62500000  1.0

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