NaMg6Cd
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1017291 · Space group: Amm2 (#38)
Basic Information
Formula
NaMg6Cd
MP-ID
mp-1017291
Elements
3
Sites
16
Density
2.4838
g/cm³
Volume
376.03
ų
Cell a
5.2429
Å
Cell b
6.4584
Å
Cell c
11.1051
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 |
|---|---|---|---|
| 15.87 | 5.5829 | 45.0 | (0,1,1) |
| 15.96 | 5.5526 | 22.8 | (0,0,2) |
| 16.91 | 5.2429 | 20.5 | (1,0,0) |
| 23.27 | 3.8218 | 37.8 | (1,1,1) |
| 23.34 | 3.8121 | 18.5 | (1,0,2) |
| 27.62 | 3.2292 | 6.0 | (0,2,0) |
| 27.78 | 3.2116 | 12.6 | (0,1,3) |
| 32.06 | 2.7915 | 29.4 | (0,2,2) |
| 32.24 | 2.7763 | 14.7 | (0,0,4) |
| 32.57 | 2.7495 | 8.3 | (1,2,0) |
| 32.70 | 2.7386 | 15.5 | (1,1,3) |
| 34.21 | 2.6214 | 38.6 | (2,0,0) |
| 36.47 | 2.4640 | 100.0 | (1,2,2) |
| 36.63 | 2.4535 | 49.1 | (1,0,4) |
| 37.92 | 2.3729 | 10.6 | (2,1,1) |
| 37.96 | 2.3705 | 5.4 | (2,0,2) |
| 42.79 | 2.1135 | 3.6 | (0,3,1) |
| 42.96 | 2.1052 | 3.8 | (0,2,4) |
| 43.07 | 2.1003 | 3.5 | (0,1,5) |
| 44.52 | 2.0353 | 3.2 | (2,2,0) |
| 44.62 | 2.0308 | 6.8 | (2,1,3) |
| 46.32 | 1.9602 | 6.1 | (1,3,1) |
| 46.48 | 1.9536 | 5.7 | (1,2,4) |
| 46.58 | 1.9497 | 6.1 | (1,1,5) |
Energy Properties
Formation Energy/atom
0.04427
eV/atom
Energy/atom
-1.46630
eV/atom
Energy above Hull
0.0697
eV/atom
Uncorrected Energy
-1.4663
eV/atom
Volume/atom
23.50
ų
c/a Ratio
2.1181
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
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 · 0.750
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
0.4974
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
5.855%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1900
smaller = more stable mixing
VEC
3.125
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.996
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6696
SS Former
1
Phase Tendency
SS
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.702
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-1017291
Reference Citation
The crystal structure and related material properties of NaMg6Cd were obtained from the Materials Project database (MP-ID: mp-1017291, 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_NaMg6Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24288700
_cell_length_b 6.45843900
_cell_length_c 11.10510300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMg6Cd
_chemical_formula_sum 'Na2 Mg12 Cd2'
_cell_volume 376.02840319
_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
Na Na0 1 0.00000000 0.50000000 0.33255300 1.0
Na Na1 1 0.00000000 0.00000000 0.83255300 1.0
Mg Mg2 1 0.00000000 0.25133700 0.08317100 1.0
Mg Mg3 1 0.00000000 0.74866300 0.08317100 1.0
Mg Mg4 1 0.00000000 0.50000000 0.83425200 1.0
Mg Mg5 1 0.50000000 0.25245100 0.91706800 1.0
Mg Mg6 1 0.50000000 0.74754900 0.91706800 1.0
Mg Mg7 1 0.50000000 0.50000000 0.66686900 1.0
Mg Mg8 1 0.00000000 0.75133700 0.58317100 1.0
Mg Mg9 1 0.00000000 0.24866300 0.58317100 1.0
Mg Mg10 1 0.00000000 0.00000000 0.33425200 1.0
Mg Mg11 1 0.50000000 0.75245100 0.41706800 1.0
Mg Mg12 1 0.50000000 0.24754900 0.41706800 1.0
Mg Mg13 1 0.50000000 0.00000000 0.16686900 1.0
Cd Cd14 1 0.50000000 0.50000000 0.16584800 1.0
Cd Cd15 1 0.50000000 0.00000000 0.66584800 1.0
