Mg14CdW
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1026476 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg14CdW
MP-ID
mp-1026476
Elements
3
Sites
16
Density
3.0925
g/cm³
Volume
341.79
ų
Cell a
6.2944
Å
Cell b
6.2944
Å
Cell c
9.9612
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 |
|---|---|---|---|
| 8.88 | 9.9612 | 7.5 | (0,0,0,1) |
| 16.26 | 5.4511 | 73.6 | (1,0,-1,0) |
| 17.81 | 4.9806 | 18.9 | (0,0,0,2) |
| 18.55 | 4.7820 | 7.6 | (1,0,-1,1) |
| 24.21 | 3.6769 | 51.9 | (1,0,-1,2) |
| 28.36 | 3.1472 | 6.3 | (2,-1,-1,0) |
| 28.36 | 3.1472 | 12.5 | (1,1,-2,0) |
| 29.77 | 3.0010 | 2.2 | (2,-1,-1,1) |
| 31.55 | 2.8358 | 1.8 | (1,0,-1,3) |
| 32.86 | 2.7256 | 21.9 | (2,0,-2,0) |
| 32.86 | 2.7256 | 11.0 | (0,2,-2,0) |
| 33.69 | 2.6606 | 23.7 | (2,-1,-1,2) |
| 34.10 | 2.6289 | 1.5 | (2,0,-2,1) |
| 36.07 | 2.4903 | 23.8 | (0,0,0,4) |
| 37.62 | 2.3910 | 100.0 | (2,0,-2,2) |
| 39.45 | 2.2842 | 1.4 | (2,-1,-1,3) |
| 39.80 | 2.2651 | 16.1 | (1,0,-1,4) |
| 43.95 | 2.0603 | 10.1 | (3,-1,-2,0) |
| 44.93 | 2.0176 | 1.7 | (3,-1,-2,1) |
| 46.50 | 1.9529 | 9.9 | (2,-1,-1,4) |
| 47.77 | 1.9039 | 6.8 | (3,-1,-2,2) |
| 47.77 | 1.9039 | 13.5 | (2,1,-3,2) |
| 49.58 | 1.8385 | 20.3 | (2,0,-2,4) |
| 50.21 | 1.8171 | 2.6 | (3,0,-3,0) |
Energy Properties
Formation Energy/atom
0.15094
eV/atom
Energy/atom
-2.14560
eV/atom
Energy above Hull
0.1637
eV/atom
Uncorrected Energy
-2.1456
eV/atom
Volume/atom
21.36
ų
c/a Ratio
1.5825
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
0.8505
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
3.412%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2645
smaller = more stable mixing
VEC
2.875
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.873
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
B
Score
0.713
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-1026476
Reference Citation
The crystal structure and related material properties of Mg14CdW were obtained from the Materials Project database (MP-ID: mp-1026476, 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_Mg14CdW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29443799
_cell_length_b 6.29443749
_cell_length_c 9.96120624
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000256
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg14CdW
_chemical_formula_sum 'Mg14 Cd1 W1'
_cell_volume 341.78770578
_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 0.16730207 0.83365054 0.12500000 1.0
Mg Mg1 1 0.16687956 0.83343928 0.62500000 1.0
Mg Mg2 1 0.66634946 0.33269793 0.12500000 1.0
Mg Mg3 1 0.66656072 0.33312044 0.62500000 1.0
Mg Mg4 1 0.66634946 0.83365054 0.12500000 1.0
Mg Mg5 1 0.66656072 0.83343928 0.62500000 1.0
Mg Mg6 1 0.32667462 0.17332538 0.36727783 1.0
Mg Mg7 1 0.32667462 0.17332538 0.88272217 1.0
Mg Mg8 1 0.32667462 0.65335024 0.36727783 1.0
Mg Mg9 1 0.32667462 0.65335024 0.88272217 1.0
Mg Mg10 1 0.84664976 0.17332538 0.36727783 1.0
Mg Mg11 1 0.84664976 0.17332538 0.88272217 1.0
Mg Mg12 1 0.83333300 0.66666700 0.37397969 1.0
Mg Mg13 1 0.83333300 0.66666700 0.87602031 1.0
Cd Cd14 1 0.16666700 0.33333300 0.62500000 1.0
W W15 1 0.16666700 0.33333300 0.12500000 1.0
