Al4Cu9

Traditional Materials TRA

MP-ID: mp-593 · Space group: P-43m (#215)

Materials Project API

Basic Information

Formula

Al4Cu9

MP-ID

mp-593

Elements

Sites

Density

7.0557

g/cm³

Volume

640.00

Å³

Cell a

8.6177

Cell b

8.6177

Cell c

8.6177

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Cubic P

Stability

Yes

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 19)

2θ	d (Å)	I	hkl
10.26	8.6177	2.6	(1,0,0)
23.08	3.8540	4.3	(2,1,0)
25.32	3.5182	7.1	(2,1,1)
31.13	2.8726	7.6	(2,2,1)
36.11	2.4877	1.9	(2,2,2)
39.11	2.3032	2.0	(3,2,1)
44.61	2.0312	100.0	(3,3,0)
48.40	1.8805	1.1	(4,2,1)
49.62	1.8373	3.1	(3,3,2)
51.98	1.7591	4.2	(4,2,2)
54.28	1.6901	1.2	(5,1,0)
55.40	1.6585	1.6	(5,1,1)
64.92	1.4363	10.3	(4,4,2)
66.93	1.3980	1.5	(6,1,1)
74.71	1.2706	2.0	(6,3,1)
76.60	1.2439	4.1	(4,4,4)
78.48	1.2187	2.1	(5,5,0)
82.20	1.1727	19.6	(6,3,3)
89.56	1.0945	1.1	(6,5,1)

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Energy Properties

Formation Energy/atom

-0.23310

eV/atom

Energy/atom

-9.81384

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-9.8138

eV/atom

Volume/atom

12.31

Å³

c/a Ratio

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

Cu · 0.692

Element Family

N/A

Solute Fraction

0.308

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.928

Family

Cu-based Alloy

Matrix Element

Cu · 0.692

Related Tasks

Related computation task IDs (2)

aaacavia aaaelzco

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-593

Reference Citation

The crystal structure and related material properties of Al4Cu9 were obtained from the Materials Project database (MP-ID: mp-593, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Al4Cu9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61773054
_cell_length_b   8.61773054
_cell_length_c   8.61773054
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Cu9
_chemical_formula_sum   'Al16 Cu36'
_cell_volume   639.99816859
_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  0.12036725  0.12036725  0.12036725  1.0
  Al  Al1  1  0.87963275  0.12036725  0.87963275  1.0
  Al  Al2  1  0.87963275  0.87963275  0.12036725  1.0
  Al  Al3  1  0.12036725  0.87963275  0.87963275  1.0
  Al  Al4  1  0.80952822  0.46505948  0.19047178  1.0
  Al  Al5  1  0.46505948  0.80952822  0.19047178  1.0
  Al  Al6  1  0.80952822  0.53494052  0.80952822  1.0
  Al  Al7  1  0.53494052  0.80952822  0.80952822  1.0
  Al  Al8  1  0.19047178  0.80952822  0.46505948  1.0
  Al  Al9  1  0.80952822  0.19047178  0.46505948  1.0
  Al  Al10  1  0.53494052  0.19047178  0.19047178  1.0
  Al  Al11  1  0.46505948  0.19047178  0.80952822  1.0
  Al  Al12  1  0.19047178  0.46505948  0.80952822  1.0
  Al  Al13  1  0.19047178  0.53494052  0.19047178  1.0
  Al  Al14  1  0.80952822  0.80952822  0.53494052  1.0
  Al  Al15  1  0.19047178  0.19047178  0.53494052  1.0
  Cu  Cu16  1  0.32640760  0.67359240  0.67359240  1.0
  Cu  Cu17  1  0.64475556  0.00000000  0.00000000  1.0
  Cu  Cu18  1  -0.00000000  0.00000000  0.35524444  1.0
  Cu  Cu19  1  -0.00000000  0.00000000  0.64475556  1.0
  Cu  Cu20  1  -0.00000000  0.64475556  0.00000000  1.0
  Cu  Cu21  1  -0.00000000  0.35524444  0.00000000  1.0
  Cu  Cu22  1  0.85448207  0.50000000  0.50000000  1.0
  Cu  Cu23  1  0.14551793  0.50000000  0.50000000  1.0
  Cu  Cu24  1  0.50000000  0.50000000  0.85448207  1.0
  Cu  Cu25  1  0.50000000  0.50000000  0.14551793  1.0
  Cu  Cu26  1  0.35524444  0.00000000  0.00000000  1.0
  Cu  Cu27  1  0.50000000  0.85448207  0.50000000  1.0
  Cu  Cu28  1  0.31587422  0.31587422  0.03190828  1.0
  Cu  Cu29  1  0.68412578  0.03190828  0.68412578  1.0
  Cu  Cu30  1  0.68412578  0.96809172  0.31587422  1.0
  Cu  Cu31  1  0.96809172  0.68412578  0.31587422  1.0
  Cu  Cu32  1  0.03190828  0.68412578  0.68412578  1.0
  Cu  Cu33  1  0.31587422  0.68412578  0.96809172  1.0
  Cu  Cu34  1  0.68412578  0.31587422  0.96809172  1.0
  Cu  Cu35  1  0.03190828  0.31587422  0.31587422  1.0
  Cu  Cu36  1  0.31587422  0.03190828  0.31587422  1.0
  Cu  Cu37  1  0.96809172  0.31587422  0.68412578  1.0
  Cu  Cu38  1  0.31587422  0.96809172  0.68412578  1.0
  Cu  Cu39  1  0.68412578  0.68412578  0.03190828  1.0
  Cu  Cu40  1  0.67359240  0.67359240  0.32640760  1.0
  Cu  Cu41  1  0.67359240  0.32640760  0.67359240  1.0
  Cu  Cu42  1  0.32640760  0.32640760  0.32640760  1.0
  Cu  Cu43  1  0.82993162  0.17006838  0.17006838  1.0
  Cu  Cu44  1  0.17006838  0.17006838  0.82993162  1.0
  Cu  Cu45  1  0.17006838  0.82993162  0.17006838  1.0
  Cu  Cu46  1  0.82993162  0.82993162  0.82993162  1.0
  Cu  Cu47  1  0.60503207  0.39496793  0.39496793  1.0
  Cu  Cu48  1  0.39496793  0.39496793  0.60503207  1.0
  Cu  Cu49  1  0.39496793  0.60503207  0.39496793  1.0
  Cu  Cu50  1  0.60503207  0.60503207  0.60503207  1.0
  Cu  Cu51  1  0.50000000  0.14551793  0.50000000  1.0

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