Mg14TiCd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1026393 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg14TiCd
MP-ID
mp-1026393
Elements
3
Sites
16
Density
2.3317
g/cm³
Volume
356.48
ų
Cell a
6.3546
Å
Cell b
6.3546
Å
Cell c
10.1936
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 |
|---|---|---|---|
| 8.67 | 10.1936 | 8.9 | (0,0,0,1) |
| 16.11 | 5.5032 | 25.4 | (1,0,-1,0) |
| 17.40 | 5.0968 | 6.7 | (0,0,0,2) |
| 18.32 | 4.8426 | 8.1 | (1,0,-1,1) |
| 18.32 | 4.8426 | 4.1 | (0,1,-1,1) |
| 23.79 | 3.7394 | 17.9 | (1,0,-1,2) |
| 26.23 | 3.3979 | 1.1 | (0,0,0,3) |
| 28.08 | 3.1773 | 6.3 | (2,-1,-1,0) |
| 29.45 | 3.0334 | 4.0 | (2,-1,-1,1) |
| 30.93 | 2.8912 | 3.6 | (1,0,-1,3) |
| 32.54 | 2.7516 | 18.0 | (2,0,-2,0) |
| 32.54 | 2.7516 | 9.0 | (0,2,-2,0) |
| 33.23 | 2.6963 | 8.0 | (2,-1,-1,2) |
| 33.74 | 2.6565 | 3.0 | (2,0,-2,1) |
| 35.22 | 2.5484 | 25.4 | (0,0,0,4) |
| 37.13 | 2.4213 | 100.0 | (2,0,-2,2) |
| 38.80 | 2.3207 | 1.9 | (2,-1,-1,3) |
| 38.95 | 2.3125 | 5.5 | (1,0,-1,4) |
| 42.26 | 2.1384 | 1.4 | (2,0,-2,3) |
| 43.51 | 2.0800 | 3.2 | (3,-1,-2,0) |
| 44.45 | 2.0380 | 1.8 | (2,1,-3,1) |
| 45.63 | 1.9880 | 1.1 | (2,-1,-1,4) |
| 45.63 | 1.9880 | 2.1 | (1,1,-2,4) |
| 47.19 | 1.9258 | 2.2 | (3,-1,-2,2) |
Energy Properties
Formation Energy/atom
0.05600
eV/atom
Energy/atom
-1.92413
eV/atom
Energy above Hull
0.0687
eV/atom
Uncorrected Energy
-1.9241
eV/atom
Volume/atom
22.28
ų
c/a Ratio
1.6041
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.3915
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.003900
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
3.6183
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
2.336%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1043
smaller = more stable mixing
VEC
2.750
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.029
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
0.777
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-1026393
Reference Citation
The crystal structure and related material properties of Mg14TiCd were obtained from the Materials Project database (MP-ID: mp-1026393, 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_Mg14TiCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35459429
_cell_length_b 6.35459378
_cell_length_c 10.19354832
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000273
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg14TiCd
_chemical_formula_sum 'Mg14 Ti1 Cd1'
_cell_volume 356.47709248
_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 0.17026022 0.83512961 0.12500000 1.0
Mg Mg1 1 0.16517035 0.83258468 0.62500000 1.0
Mg Mg2 1 0.66487039 0.32973978 0.12500000 1.0
Mg Mg3 1 0.66741532 0.33482965 0.62500000 1.0
Mg Mg4 1 0.66487039 0.83512961 0.12500000 1.0
Mg Mg5 1 0.66741532 0.83258468 0.62500000 1.0
Mg Mg6 1 0.33008879 0.16991121 0.37282333 1.0
Mg Mg7 1 0.33008879 0.16991121 0.87717667 1.0
Mg Mg8 1 0.33008879 0.66017859 0.37282333 1.0
Mg Mg9 1 0.33008879 0.66017859 0.87717667 1.0
Mg Mg10 1 0.83982141 0.16991121 0.37282333 1.0
Mg Mg11 1 0.83982141 0.16991121 0.87717667 1.0
Mg Mg12 1 0.83333300 0.66666700 0.37317863 1.0
Mg Mg13 1 0.83333300 0.66666700 0.87682137 1.0
Ti Ti14 1 0.16666700 0.33333300 0.12500000 1.0
Cd Cd15 1 0.16666700 0.33333300 0.62500000 1.0
