Al

Traditional Materials TRA

MP-ID: mp-1183144 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MP-ID

mp-1183144

Elements

Sites

Density

2.8187

g/cm³

Volume

63.58

Å³

Cell a

2.8271

Cell b

2.8271

Cell c

9.1860

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

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 23)

2θ	d (Å)	I	hkl
36.71	2.4483	2.7	(0,1,-1,0)
36.71	2.4483	5.4	(1,0,-1,0)
38.04	2.3657	44.0	(1,0,-1,1)
39.23	2.2965	35.7	(0,0,0,4)
41.81	2.1605	100.0	(1,0,-1,2)
47.55	1.9122	7.6	(0,1,-1,3)
47.55	1.9122	15.1	(1,0,-1,3)
54.81	1.6750	4.9	(1,0,-1,4)
63.29	1.4695	3.2	(0,1,-1,5)
63.29	1.4695	6.4	(1,0,-1,5)
66.10	1.4135	15.0	(1,1,-2,0)
66.10	1.4135	7.5	(2,-1,-1,0)
72.87	1.2981	6.3	(0,1,-1,6)
72.87	1.2981	12.6	(1,0,-1,6)
78.89	1.2134	1.7	(0,2,-2,1)
78.89	1.2134	3.4	(2,0,-2,1)
79.65	1.2038	26.2	(2,-1,-1,4)
81.35	1.1829	4.6	(0,2,-2,2)
81.35	1.1829	9.3	(2,0,-2,2)
83.60	1.1566	4.3	(1,0,-1,7)
84.35	1.1483	3.8	(0,0,0,8)
85.41	1.1367	1.4	(0,2,-2,3)
85.41	1.1367	2.7	(2,0,-2,3)

Get direct link

Energy Properties

Formation Energy/atom

0.01048

eV/atom

Energy/atom

-6.72162

eV/atom

Energy above Hull

0.0105

eV/atom

Uncorrected Energy

-6.7216

eV/atom

Volume/atom

15.90

Å³

c/a Ratio

3.2493

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

Al · 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

0.776

Family

Pure Metal

Matrix Element

Al · 1.000

Related Tasks

Related computation task IDs (5)

aaadnvpb aaadtlct aaaegtsm aaaesepm aaafczjd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1183144

Reference Citation

The crystal structure and related material properties of Al were obtained from the Materials Project database (MP-ID: mp-1183144, 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 | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82707685
_cell_length_b   2.82707720
_cell_length_c   9.18599307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999604
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al4
_cell_volume   63.58168669
_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
  Al  Al0  1  -0.00000000  -0.00000000  0.00000000  1.0
  Al  Al1  1  0.33333300  0.66666700  0.25000000  1.0
  Al  Al2  1  -0.00000000  -0.00000000  0.50000000  1.0
  Al  Al3  1  0.66666800  0.33333300  0.75000000  1.0

Get direct link