Navigation

HEAS Data Platform · Materials Science Database

Na

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-982370 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Na
MP-ID
mp-982370
Elements
1
Sites
4
Density
1.0271
g/cm³
Volume
148.67
ų
Cell a
3.7004
Å
Cell b
3.7004
Å
Cell c
12.5373
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
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 24)
2θd (Å)Ihkl
27.84 3.2046 7.6 (1,0,-1,0)
27.84 3.2046 3.8 (0,1,-1,0)
28.48 3.1343 57.4 (0,0,0,4)
28.75 3.1048 42.0 (1,0,-1,1)
28.75 3.1048 21.0 (0,1,-1,1)
31.35 2.8534 100.0 (1,0,-1,2)
31.35 2.8534 50.0 (0,1,-1,2)
35.29 2.5430 24.0 (1,0,-1,3)
35.29 2.5430 12.0 (0,1,-1,3)
40.25 2.2408 8.2 (1,0,-1,4)
45.96 1.9748 10.8 (1,0,-1,5)
45.96 1.9748 5.4 (0,1,-1,5)
49.25 1.8502 11.6 (2,-1,-1,0)
49.25 1.8502 11.6 (1,-2,1,0)
49.25 1.8502 11.6 (1,1,-2,0)
52.26 1.7503 32.2 (1,0,-1,6)
57.87 1.5933 13.5 (2,-1,-1,4)
57.87 1.5933 27.0 (1,1,-2,4)
58.03 1.5894 2.5 (2,-2,0,1)
58.03 1.5894 2.5 (2,0,-2,1)
58.03 1.5894 2.5 (0,2,-2,1)
58.93 1.5672 6.3 (0,0,0,8)
59.09 1.5634 2.4 (1,-1,0,7)
59.09 1.5634 4.7 (1,0,-1,7)
Get direct link

Energy Properties

Formation Energy/atom
0.01121
eV/atom
Energy/atom
-3.55297
eV/atom
Energy above Hull
0.0112
eV/atom
Uncorrected Energy
-3.5530
eV/atom
Volume/atom
37.17
ų
c/a Ratio
3.3881

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
7.773
GPa
GVRH
3.678
GPa
Young's Modulus E
9.531
GPa
Poisson Ratio ν
0.296
Pugh Ratio K/G
2.113
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
0.447
Lame λ
5.321
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Na · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.565
Family
Pure Metal
Matrix Element
Na · 1.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4470
Homogeneous Poisson ν
0.2960
Debye Temperature
188.4
K
Sound Velocity
2,112.5
m/s
Homogeneity
0.2960

Related Tasks

Related computation task IDs (5)
aaacited aaadwgdu aaaehczk aaaeoxch aaafbkks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-982370
Reference Citation

The crystal structure and related material properties of Na were obtained from the Materials Project database (MP-ID: mp-982370, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_Na
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70038358
_cell_length_b   3.70038266
_cell_length_c   12.53732154
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na
_chemical_formula_sum   Na4
_cell_volume   148.67183531
_cell_formula_units_Z   4
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  0.00000125  1.0
  Na  Na1  1  0.33333400  0.66666800  0.25000000  1.0
  Na  Na2  1  -0.00000000  -0.00000000  0.49999875  1.0
  Na  Na3  1  0.66666600  0.33333200  0.75000000  1.0
Get direct link