NaMg
Traditional Materials TRAMP-ID: mp-973334 · Space group: Pmma (#51)
Basic Information
Formula
NaMg
MP-ID
mp-973334
Elements
2
Sites
4
Density
1.3913
g/cm³
Volume
112.89
ų
Cell a
3.2910
Å
Cell b
5.5308
Å
Cell c
6.2025
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 14.28 | 6.2025 | 1.6 | (0,0,1) |
| 28.79 | 3.1012 | 3.3 | (0,0,2) |
| 30.76 | 2.9071 | 45.2 | (1,0,1) |
| 32.37 | 2.7654 | 50.5 | (0,2,0) |
| 33.12 | 2.7050 | 89.3 | (0,1,2) |
| 34.87 | 2.5733 | 100.0 | (1,1,1) |
| 43.86 | 2.0640 | 2.0 | (0,2,2) |
| 45.26 | 2.0037 | 29.6 | (1,2,1) |
| 52.25 | 1.7507 | 19.1 | (1,0,3) |
| 55.02 | 1.6691 | 7.7 | (1,1,3) |
| 55.88 | 1.6455 | 9.7 | (2,0,0) |
| 58.22 | 1.5847 | 16.0 | (0,3,2) |
| 59.36 | 1.5569 | 19.4 | (1,3,1) |
| 59.63 | 1.5506 | 6.2 | (0,0,4) |
| 62.17 | 1.4931 | 2.4 | (0,1,4) |
| 62.82 | 1.4792 | 20.8 | (1,2,3) |
| 66.07 | 1.4141 | 11.1 | (2,2,0) |
| 66.51 | 1.4058 | 20.5 | (2,1,2) |
| 67.77 | 1.3827 | 5.1 | (0,4,0) |
| 69.50 | 1.3525 | 7.4 | (0,2,4) |
| 74.78 | 1.2695 | 2.8 | (1,3,3) |
| 76.25 | 1.2487 | 5.4 | (1,4,1) |
| 84.97 | 1.1414 | 9.3 | (2,3,2) |
| 85.47 | 1.1360 | 8.6 | (1,1,5) |
Energy Properties
Formation Energy/atom
0.12336
eV/atom
Energy/atom
-3.74339
eV/atom
Energy above Hull
0.1234
eV/atom
Uncorrected Energy
-1.3500
eV/atom
Volume/atom
28.22
ų
c/a Ratio
1.8847
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0044
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Na · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.542
Family
Binary Alloy
Matrix Element
Na · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-973334
Reference Citation
The crystal structure and related material properties of NaMg were obtained from the Materials Project database (MP-ID: mp-973334, 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_NaMg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29095200
_cell_length_b 5.53079100
_cell_length_c 6.20248000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaMg
_chemical_formula_sum 'Na2 Mg2'
_cell_volume 112.89485965
_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 0.75000000 0.34919000 1.0
Na Na1 1 0.50000000 0.25000000 0.65081000 1.0
Mg Mg2 1 0.00000000 0.25000000 0.13495000 1.0
Mg Mg3 1 0.00000000 0.75000000 0.86505000 1.0
