Basic Information
Formula
Na
MP-ID
mp-10172
Elements
1
Sites
2
Density
1.0335
g/cm³
Volume
73.88
ų
Cell a
3.6888
Å
Cell b
3.6888
Å
Cell c
6.2692
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 27.93 | 3.1946 | 11.4 | (1,0,-1,0) |
| 27.93 | 3.1946 | 22.8 | (1,-1,0,0) |
| 28.47 | 3.1346 | 43.4 | (0,0,0,2) |
| 31.43 | 2.8463 | 100.0 | (1,0,-1,1) |
| 31.43 | 2.8463 | 50.0 | (0,1,-1,1) |
| 40.31 | 2.2374 | 8.2 | (1,0,-1,2) |
| 40.31 | 2.2374 | 16.4 | (1,-1,0,2) |
| 49.41 | 1.8444 | 17.3 | (2,-1,-1,0) |
| 49.41 | 1.8444 | 8.7 | (1,-2,1,0) |
| 52.31 | 1.7488 | 21.5 | (1,0,-1,3) |
| 52.31 | 1.7488 | 10.8 | (0,1,-1,3) |
| 57.72 | 1.5973 | 2.6 | (2,0,-2,0) |
| 57.72 | 1.5973 | 1.3 | (0,2,-2,0) |
| 58.02 | 1.5896 | 30.4 | (2,-1,-1,2) |
| 58.93 | 1.5673 | 4.8 | (0,0,0,4) |
| 59.74 | 1.5478 | 6.9 | (2,0,-2,1) |
| 59.74 | 1.5478 | 13.7 | (2,-2,0,1) |
| 65.60 | 1.4232 | 1.6 | (2,0,-2,2) |
| 65.60 | 1.4232 | 3.3 | (2,-2,0,2) |
| 66.44 | 1.4071 | 4.7 | (1,0,-1,4) |
| 74.82 | 1.2690 | 3.1 | (2,0,-2,3) |
| 74.82 | 1.2690 | 6.2 | (2,-2,0,3) |
| 79.36 | 1.2074 | 1.7 | (3,-1,-2,0) |
| 80.40 | 1.1943 | 6.5 | (2,-1,-1,4) |
Energy Properties
Formation Energy/atom
0.00000
eV/atom
Energy/atom
-3.56418
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-3.5642
eV/atom
Volume/atom
36.94
ų
c/a Ratio
1.6995
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
KVRH
7.777
GPa
GVRH
4.588
GPa
Young's Modulus E
11.502
GPa
Poisson Ratio ν
0.254
Pugh Ratio K/G
1.695
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
1.074
Lame λ
4.718
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Na · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.573
Family
Pure Metal
Matrix Element
Na · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10172
Reference Citation
The crystal structure and related material properties of Na were obtained from the Materials Project database (MP-ID: mp-10172, 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_Na
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68877100
_cell_length_b 3.68877041
_cell_length_c 6.26919400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999634
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na
_chemical_formula_sum Na2
_cell_volume 73.87639202
_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 0.33333300 0.66666700 0.25000000 1.0
Na Na1 1 0.66666700 0.33333300 0.75000000 1.0
