Na

Traditional Materials TRA

MP-ID: mp-973198 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

MP-ID

mp-973198

Elements

Sites

Density

1.0303

g/cm³

Volume

111.16

Å³

Cell a

3.6972

Cell b

3.6961

Cell c

9.6140

α Angle

78.72

β Angle

101.28

γ Angle

119.71

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
27.97	3.1897	21.0	(1,0,0)
27.98	3.1888	21.6	(0,1,0)
28.08	3.1778	21.3	(1,-1,-1)
28.50	3.1322	8.6	(1,0,-1)
28.51	3.1313	8.7	(0,1,1)
28.60	3.1216	100.0	(0,0,3)
28.67	3.1138	8.6	(1,-1,0)
30.64	2.9180	59.7	(1,0,1)
30.65	2.9172	59.0	(0,1,-1)
30.68	2.9146	59.0	(1,-1,-2)
32.07	2.7909	52.7	(1,0,-2)
32.08	2.7903	52.1	(0,1,2)
32.28	2.7730	51.3	(1,-1,1)
35.83	2.5061	4.6	(1,-1,-3)
35.85	2.5046	4.6	(1,0,2)
35.86	2.5042	4.6	(0,1,-2)
37.92	2.3726	9.0	(1,0,-3)
37.93	2.3722	9.3	(0,1,3)
38.16	2.3585	9.1	(1,-1,2)
42.75	2.1151	6.5	(1,-1,-4)
42.82	2.1121	6.3	(1,0,3)
42.82	2.1118	6.5	(0,1,-3)
45.32	2.0012	2.3	(1,0,-4)
45.32	2.0010	2.3	(0,1,4)

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Energy Properties

Formation Energy/atom

0.00473

eV/atom

Energy/atom

-3.55945

eV/atom

Energy above Hull

0.0047

eV/atom

Uncorrected Energy

-3.5595

eV/atom

Volume/atom

37.05

Å³

c/a Ratio

2.6003

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

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

Score

0.570

Family

Pure Metal

Matrix Element

Na · 1.000

Related Tasks

Related computation task IDs (5)

aaacikzl aaaegsdt aaaerbsn aaafamcr aaafscrx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-973198

Reference Citation

The crystal structure and related material properties of Na were obtained from the Materials Project database (MP-ID: mp-973198, 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   3.69724028
_cell_length_b   3.69609980
_cell_length_c   9.61398346
_cell_angle_alpha   78.72173424
_cell_angle_beta   101.27929954
_cell_angle_gamma   119.70566347
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na
_chemical_formula_sum   Na3
_cell_volume   111.15610958
_cell_formula_units_Z   3
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  0.00000000  1.0
  Na  Na1  1  0.77676300  0.22159300  0.33332400  1.0
  Na  Na2  1  0.22323700  0.77840700  0.66667600  1.0

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