NaMg6W
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1017336 · Space group: Amm2 (#38)
Basic Information
Formula
NaMg6W
MP-ID
mp-1017336
Elements
3
Sites
16
Density
3.4554
g/cm³
Volume
338.95
ų
Cell a
4.4249
Å
Cell b
8.7290
Å
Cell c
8.7754
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 |
|---|---|---|---|
| 14.31 | 6.1887 | 99.2 | (0,1,1) |
| 20.07 | 4.4249 | 18.8 | (1,0,0) |
| 20.24 | 4.3877 | 18.7 | (0,0,2) |
| 20.35 | 4.3645 | 18.7 | (0,2,0) |
| 24.73 | 3.5995 | 40.0 | (1,1,1) |
| 28.65 | 3.1156 | 15.7 | (1,0,2) |
| 28.73 | 3.1073 | 15.5 | (1,2,0) |
| 28.85 | 3.0943 | 16.4 | (0,2,2) |
| 32.28 | 2.7735 | 10.7 | (0,1,3) |
| 32.42 | 2.7618 | 9.9 | (0,3,1) |
| 35.40 | 2.5358 | 100.0 | (1,2,2) |
| 38.30 | 2.3501 | 17.7 | (1,1,3) |
| 38.42 | 2.3429 | 18.4 | (1,3,1) |
| 40.78 | 2.2124 | 17.1 | (2,0,0) |
| 41.15 | 2.1938 | 16.2 | (0,0,4) |
| 41.37 | 2.1823 | 15.7 | (0,4,0) |
| 43.44 | 2.0833 | 12.9 | (2,1,1) |
| 43.89 | 2.0629 | 3.1 | (0,3,3) |
| 45.94 | 1.9755 | 4.6 | (2,0,2) |
| 45.99 | 1.9734 | 4.6 | (2,2,0) |
| 46.19 | 1.9655 | 4.8 | (1,0,4) |
| 46.32 | 1.9602 | 4.2 | (0,2,4) |
| 46.39 | 1.9572 | 4.8 | (1,4,0) |
| 46.48 | 1.9539 | 4.1 | (0,4,2) |
Energy Properties
Formation Energy/atom
0.31968
eV/atom
Energy/atom
-9.67379
eV/atom
Energy above Hull
0.3197
eV/atom
Uncorrected Energy
-2.6836
eV/atom
Volume/atom
21.18
ų
c/a Ratio
1.9832
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0051
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
3.7057
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.346%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3858
smaller = more stable mixing
VEC
2.375
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.981
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
C
Score
0.589
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-1017336
Reference Citation
The crystal structure and related material properties of NaMg6W were obtained from the Materials Project database (MP-ID: mp-1017336, 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_NaMg6W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42487800
_cell_length_b 8.72900200
_cell_length_c 8.77538000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMg6W
_chemical_formula_sum 'Na2 Mg12 W2'
_cell_volume 338.94702461
_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 0.50000000 0.50000000 0.37077900 1.0
Na Na1 1 0.50000000 0.00000000 0.87077900 1.0
Mg Mg2 1 0.50000000 0.75349400 0.12602300 1.0
Mg Mg3 1 0.50000000 0.24650600 0.12602300 1.0
Mg Mg4 1 0.00000000 0.72840000 0.87551000 1.0
Mg Mg5 1 0.00000000 0.27160000 0.87551000 1.0
Mg Mg6 1 0.00000000 0.50000000 0.10662000 1.0
Mg Mg7 1 0.00000000 0.50000000 0.64285700 1.0
Mg Mg8 1 0.50000000 0.25349400 0.62602300 1.0
Mg Mg9 1 0.50000000 0.74650600 0.62602300 1.0
Mg Mg10 1 0.00000000 0.22840000 0.37551000 1.0
Mg Mg11 1 0.00000000 0.77160000 0.37551000 1.0
Mg Mg12 1 0.00000000 0.00000000 0.60662000 1.0
Mg Mg13 1 0.00000000 0.00000000 0.14285700 1.0
W W14 1 0.50000000 0.50000000 0.87668200 1.0
W W15 1 0.50000000 0.00000000 0.37668200 1.0
