Mg14ZnCd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1027888 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg14ZnCd
MP-ID
mp-1027888
Elements
3
Sites
16
Density
2.4220
g/cm³
Volume
355.21
ų
Cell a
6.2893
Å
Cell b
6.2893
Å
Cell c
10.3694
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.53 | 10.3694 | 4.0 | (0,0,0,1) |
| 16.27 | 5.4467 | 31.0 | (1,0,-1,0) |
| 17.10 | 5.1847 | 9.1 | (0,0,0,2) |
| 18.40 | 4.8220 | 4.9 | (1,0,-1,1) |
| 23.69 | 3.7553 | 25.2 | (1,0,-1,2) |
| 28.38 | 3.1446 | 8.3 | (2,-1,-1,0) |
| 29.69 | 3.0093 | 1.5 | (2,-1,-1,1) |
| 30.63 | 2.9184 | 1.4 | (1,0,-1,3) |
| 32.89 | 2.7233 | 18.3 | (2,0,-2,0) |
| 32.89 | 2.7233 | 9.1 | (0,2,-2,0) |
| 33.32 | 2.6887 | 10.8 | (2,-1,-1,2) |
| 34.60 | 2.5924 | 26.9 | (0,0,0,4) |
| 37.30 | 2.4110 | 100.0 | (2,0,-2,2) |
| 38.46 | 2.3408 | 7.5 | (1,0,-1,4) |
| 43.98 | 2.0587 | 3.2 | (3,-1,-2,0) |
| 43.98 | 2.0587 | 1.6 | (1,2,-3,0) |
| 45.34 | 2.0003 | 4.5 | (2,-1,-1,4) |
| 47.52 | 1.9133 | 8.1 | (3,-1,-2,2) |
| 48.48 | 1.8777 | 11.8 | (2,0,-2,4) |
| 48.48 | 1.8777 | 5.9 | (0,2,-2,4) |
| 50.25 | 1.8156 | 1.6 | (3,0,-3,0) |
| 53.47 | 1.7135 | 2.7 | (3,0,-3,2) |
| 55.81 | 1.6473 | 2.3 | (1,0,-1,6) |
| 57.14 | 1.6122 | 1.4 | (3,-1,-2,4) |
Energy Properties
Formation Energy/atom
0.00965
eV/atom
Energy/atom
-1.55575
eV/atom
Energy above Hull
0.0357
eV/atom
Uncorrected Energy
-1.5558
eV/atom
Volume/atom
22.20
ų
c/a Ratio
1.6487
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
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
0.6460
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
4.132%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1193
smaller = more stable mixing
VEC
3.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.296
kJ/mol; negative = exothermic mixing
Entropy Norm
0.4218
SS Former
1
Phase Tendency
SS
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.799
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1027888
Reference Citation
The crystal structure and related material properties of Mg14ZnCd were obtained from the Materials Project database (MP-ID: mp-1027888, 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_Mg14ZnCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28928488
_cell_length_b 6.28928439
_cell_length_c 10.36941187
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000259
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg14ZnCd
_chemical_formula_sum 'Mg14 Zn1 Cd1'
_cell_volume 355.21168622
_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 0.16516579 0.83258239 0.12500000 1.0
Mg Mg1 1 0.16556665 0.83278283 0.62500000 1.0
Mg Mg2 1 0.66741761 0.33483421 0.12500000 1.0
Mg Mg3 1 0.66721717 0.33443335 0.62500000 1.0
Mg Mg4 1 0.66741761 0.83258239 0.12500000 1.0
Mg Mg5 1 0.66721717 0.83278283 0.62500000 1.0
Mg Mg6 1 0.33211538 0.16788462 0.37356250 1.0
Mg Mg7 1 0.33211538 0.16788462 0.87643750 1.0
Mg Mg8 1 0.33211538 0.66423177 0.37356250 1.0
Mg Mg9 1 0.33211538 0.66423177 0.87643750 1.0
Mg Mg10 1 0.83576823 0.16788462 0.37356250 1.0
Mg Mg11 1 0.83576823 0.16788462 0.87643750 1.0
Mg Mg12 1 0.83333300 0.66666700 0.37468374 1.0
Mg Mg13 1 0.83333300 0.66666700 0.87531626 1.0
Zn Zn14 1 0.16666700 0.33333300 0.12500000 1.0
Cd Cd15 1 0.16666700 0.33333300 0.62500000 1.0
