NaMg15
Traditional Materials TRAMP-ID: mp-1023499 · Space group: P-6m2 (#187)
Basic Information
Formula
NaMg15
MP-ID
mp-1023499
Elements
2
Sites
16
Density
1.7220
g/cm³
Volume
373.73
ų
Cell a
6.4440
Å
Cell b
6.4440
Å
Cell c
10.3925
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 17)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 32.08 | 2.7903 | 36.0 | (2,0,-2,0) |
| 34.52 | 2.5981 | 39.1 | (0,0,0,4) |
| 36.55 | 2.4583 | 50.0 | (2,-2,0,2) |
| 36.55 | 2.4583 | 100.0 | (2,0,-2,2) |
| 47.84 | 1.9015 | 7.5 | (2,-2,0,4) |
| 47.84 | 1.9015 | 15.0 | (2,0,-2,4) |
| 57.18 | 1.6110 | 25.7 | (4,-2,-2,0) |
| 63.18 | 1.4716 | 27.9 | (2,0,-2,6) |
| 67.09 | 1.3952 | 1.3 | (4,-4,0,0) |
| 67.09 | 1.3952 | 2.6 | (4,0,-4,0) |
| 68.54 | 1.3692 | 28.7 | (4,-2,-2,4) |
| 69.80 | 1.3474 | 6.8 | (4,-4,0,2) |
| 69.80 | 1.3474 | 13.5 | (4,0,-4,2) |
| 72.80 | 1.2991 | 3.9 | (0,0,0,8) |
| 77.69 | 1.2292 | 1.6 | (4,-4,0,4) |
| 77.69 | 1.2292 | 3.2 | (4,0,-4,4) |
| 81.78 | 1.1777 | 4.1 | (2,0,-2,8) |
Energy Properties
Formation Energy/atom
0.05285
eV/atom
Energy/atom
-4.07864
eV/atom
Energy above Hull
0.0529
eV/atom
Uncorrected Energy
-1.5525
eV/atom
Volume/atom
23.36
ų
c/a Ratio
1.6128
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0043
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.938
Element Family
N/A
Solute Fraction
0.063
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.725
Family
Mg-based Alloy
Matrix Element
Mg · 0.938
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1023499
Reference Citation
The crystal structure and related material properties of NaMg15 were obtained from the Materials Project database (MP-ID: mp-1023499, 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_NaMg15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44395052
_cell_length_b 6.44395052
_cell_length_c 10.39245800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000533
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMg15
_chemical_formula_sum 'Na1 Mg15'
_cell_volume 373.72597219
_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
Na Na0 1 0.00000000 0.00000000 0.50000000 1.0
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1.0
Mg Mg2 1 0.00097000 0.50048500 0.50000000 1.0
Mg Mg3 1 0.99994200 0.49997100 0.00000000 1.0
Mg Mg4 1 0.49951500 0.50048500 0.50000000 1.0
Mg Mg5 1 0.50002900 0.49997100 0.00000000 1.0
Mg Mg6 1 0.49951500 0.99903000 0.50000000 1.0
Mg Mg7 1 0.50002900 0.00005800 0.00000000 1.0
Mg Mg8 1 0.16733500 0.33467000 0.24742600 1.0
Mg Mg9 1 0.16733500 0.33467000 0.75257400 1.0
Mg Mg10 1 0.16733500 0.83266500 0.24742600 1.0
Mg Mg11 1 0.16733500 0.83266500 0.75257400 1.0
Mg Mg12 1 0.66533000 0.83266500 0.24742600 1.0
Mg Mg13 1 0.66533000 0.83266500 0.75257400 1.0
Mg Mg14 1 0.66666700 0.33333300 0.25023000 1.0
Mg Mg15 1 0.66666700 0.33333300 0.74977000 1.0
