LaMg6Cd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1017476 · Space group: Amm2 (#38)
Basic Information
Formula
LaMg6Cd
MP-ID
mp-1017476
Elements
3
Sites
16
Density
3.2574
g/cm³
Volume
404.91
ų
Cell a
5.1760
Å
Cell b
6.6183
Å
Cell c
11.8198
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 14.99 | 5.9099 | 59.0 | (0,0,2) |
| 15.34 | 5.7747 | 1.2 | (0,1,1) |
| 17.13 | 5.1760 | 45.4 | (1,0,0) |
| 22.84 | 3.8938 | 48.0 | (1,0,2) |
| 23.08 | 3.8543 | 1.5 | (1,1,1) |
| 26.94 | 3.3092 | 15.6 | (0,2,0) |
| 30.25 | 2.9549 | 20.5 | (0,0,4) |
| 30.97 | 2.8873 | 39.0 | (0,2,2) |
| 32.10 | 2.7881 | 19.8 | (1,2,0) |
| 34.66 | 2.5880 | 33.4 | (2,0,0) |
| 34.96 | 2.5662 | 52.5 | (1,0,4) |
| 35.60 | 2.5216 | 100.0 | (1,2,2) |
| 37.95 | 2.3707 | 12.2 | (2,0,2) |
| 40.95 | 2.2041 | 10.7 | (0,2,4) |
| 44.44 | 2.0386 | 8.0 | (2,2,0) |
| 44.69 | 2.0279 | 14.8 | (1,2,4) |
| 46.08 | 1.9700 | 3.5 | (0,0,6) |
| 46.65 | 1.9469 | 12.2 | (2,0,4) |
| 47.16 | 1.9272 | 23.8 | (2,2,2) |
| 49.51 | 1.8411 | 5.8 | (1,0,6) |
| 53.08 | 1.7254 | 2.4 | (3,0,0) |
| 54.19 | 1.6927 | 17.6 | (0,2,6) |
| 54.70 | 1.6780 | 9.0 | (2,2,4) |
| 55.48 | 1.6562 | 4.2 | (3,0,2) |
Energy Properties
Formation Energy/atom
0.00972
eV/atom
Energy/atom
-1.95013
eV/atom
Energy above Hull
0.1153
eV/atom
Uncorrected Energy
-1.9501
eV/atom
Volume/atom
25.31
ų
c/a Ratio
2.2836
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0085
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
Alkali-AlkEarth
Solute Fraction
0.250
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7356
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.1160
J/mol·K
Ω Parameter
0.3857
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.569%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1520
smaller = more stable mixing
VEC
3.375
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-14.518
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.712
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1017476
Reference Citation
The crystal structure and related material properties of LaMg6Cd were obtained from the Materials Project database (MP-ID: mp-1017476, 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_LaMg6Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17603700
_cell_length_b 6.61832800
_cell_length_c 11.81975200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaMg6Cd
_chemical_formula_sum 'La2 Mg12 Cd2'
_cell_volume 404.90582370
_cell_formula_units_Z 2
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
La La0 1 0.00000000 0.00000000 0.16915200 1.0
La La1 1 0.00000000 0.50000000 0.66915200 1.0
Mg Mg2 1 0.00000000 0.24550800 0.41885100 1.0
Mg Mg3 1 0.00000000 0.75449200 0.41885100 1.0
Mg Mg4 1 0.50000000 0.74150900 0.08018700 1.0
Mg Mg5 1 0.50000000 0.25849100 0.08018700 1.0
Mg Mg6 1 0.50000000 0.00000000 0.33860800 1.0
Mg Mg7 1 0.50000000 0.50000000 0.33226500 1.0
Mg Mg8 1 0.00000000 0.74550800 0.91885100 1.0
Mg Mg9 1 0.00000000 0.25449200 0.91885100 1.0
Mg Mg10 1 0.50000000 0.24150900 0.58018700 1.0
Mg Mg11 1 0.50000000 0.75849100 0.58018700 1.0
Mg Mg12 1 0.50000000 0.50000000 0.83860800 1.0
Mg Mg13 1 0.50000000 0.00000000 0.83226500 1.0
Cd Cd14 1 0.00000000 0.50000000 0.16189600 1.0
Cd Cd15 1 0.00000000 0.00000000 0.66189600 1.0
