Al13Co4

Traditional Materials TRA

MP-ID: mp-30751 · Space group: Pnnm (#58)

Materials Project API

Basic Information

Formula

Al13Co4

MP-ID

mp-30751

Elements

Sites

102

Density

3.9815

g/cm³

Volume

1,467.65

Å³

Cell a

8.2022

Cell b

12.3882

Cell c

14.4438

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnnm

Point Group

mmm

Crystal System

Orthorhombic

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
12.41	7.1324	1.2	(1,0,1)
12.94	6.8391	1.7	(1,1,0)
14.20	6.2391	1.2	(0,1,2)
14.30	6.1941	1.3	(0,2,0)
14.33	6.1812	7.8	(1,1,1)
18.87	4.7017	3.0	(0,2,2)
19.78	4.4876	2.1	(0,1,3)
21.67	4.1011	4.6	(2,0,0)
22.39	3.9703	46.8	(0,3,1)
23.40	3.8013	24.4	(0,2,3)
23.67	3.7592	6.4	(2,1,1)
24.65	3.6110	18.0	(0,0,4)
24.84	3.5848	1.4	(0,3,2)
24.97	3.5662	21.7	(2,0,2)
25.70	3.4667	7.6	(0,1,4)
26.00	3.4270	22.7	(2,1,2)
26.06	3.4195	5.7	(2,2,0)
26.79	3.3275	31.6	(2,2,1)
28.48	3.1344	7.6	(0,3,3)
28.83	3.0970	2.3	(0,4,0)
29.50	3.0282	4.1	(0,4,1)
29.51	3.0274	3.6	(2,1,3)
31.43	2.8464	1.3	(0,4,2)
32.87	2.7247	2.4	(1,0,5)

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Energy Properties

Formation Energy/atom

-0.35373

eV/atom

Energy/atom

-8.61574

eV/atom

Energy above Hull

0.0108

eV/atom

Uncorrected Energy

-4.9243

eV/atom

Volume/atom

14.39

Å³

c/a Ratio

1.7610

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0235

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.765

Element Family

N/A

Solute Fraction

0.235

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.880

Family

Al-based Alloy

Matrix Element

Al · 0.765

Related Tasks

Related computation task IDs (2)

aaacbpku aaacxycn

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30751

Reference Citation

The crystal structure and related material properties of Al13Co4 were obtained from the Materials Project database (MP-ID: mp-30751, 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…

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Raw CIF Data

# generated using pymatgen
data_Al13Co4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20224000
_cell_length_b   12.38816400
_cell_length_c   14.44381200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al13Co4
_chemical_formula_sum   'Al78 Co24'
_cell_volume   1467.64576548
_cell_formula_units_Z   6
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  0.75544000  0.40372000  1.0
  Al  Al1  1  0.50000000  0.74456000  0.90372000  1.0
  Al  Al2  1  0.00000000  0.85056000  0.56495200  1.0
  Al  Al3  1  0.50000000  0.64944000  0.06495200  1.0
  Al  Al4  1  0.00000000  0.65613400  0.20981600  1.0
  Al  Al5  1  0.50000000  0.84386600  0.70981600  1.0
  Al  Al6  1  0.00000000  0.65983000  0.02495900  1.0
  Al  Al7  1  0.50000000  0.84017000  0.52495900  1.0
  Al  Al8  1  0.00000000  0.88576200  0.25621000  1.0
  Al  Al9  1  0.50000000  0.61423800  0.75621000  1.0
  Al  Al10  1  0.00000000  0.57066200  0.73916500  1.0
  Al  Al11  1  0.50000000  0.92933800  0.23916500  1.0
  Al  Al12  1  0.00000000  0.55424100  0.42161000  1.0
  Al  Al13  1  0.50000000  0.94575900  0.92161000  1.0
  Al  Al14  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al15  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al16  1  0.00000000  0.14944000  0.43504800  1.0
  Al  Al17  1  0.50000000  0.35056000  0.93504800  1.0
  Al  Al18  1  0.00000000  0.11423800  0.74379000  1.0
  Al  Al19  1  0.50000000  0.38576200  0.24379000  1.0
  Al  Al20  1  0.00000000  0.42933800  0.26083500  1.0
  Al  Al21  1  0.50000000  0.07066200  0.76083500  1.0
  Al  Al22  1  0.00000000  0.34017000  0.97504100  1.0
  Al  Al23  1  0.50000000  0.15983000  0.47504100  1.0
  Al  Al24  1  0.00000000  0.24456000  0.59628000  1.0
  Al  Al25  1  0.50000000  0.25544000  0.09628000  1.0
  Al  Al26  1  0.00000000  0.34386600  0.79018400  1.0
  Al  Al27  1  0.50000000  0.15613400  0.29018400  1.0
  Al  Al28  1  0.00000000  0.44575900  0.57839000  1.0
  Al  Al29  1  0.50000000  0.05424100  0.07839000  1.0
  Al  Al30  1  0.00000000  0.84793000  0.82934900  1.0
  Al  Al31  1  0.50000000  0.65207000  0.32934900  1.0
  Al  Al32  1  0.00000000  0.15207000  0.17065100  1.0
  Al  Al33  1  0.50000000  0.34793000  0.67065100  1.0
  Al  Al34  1  0.22162100  0.95518300  0.68350400  1.0
  Al  Al35  1  0.27837900  0.54481700  0.18350400  1.0
  Al  Al36  1  0.77837900  0.95518300  0.68350400  1.0
  Al  Al37  1  0.72162100  0.54481700  0.18350400  1.0
  Al  Al38  1  0.20973500  0.65857200  0.86821600  1.0
  Al  Al39  1  0.29026500  0.84142800  0.36821600  1.0
  Al  Al40  1  0.79026500  0.65857200  0.86821600  1.0
  Al  Al41  1  0.70973500  0.84142800  0.36821600  1.0
  Al  Al42  1  0.23150300  0.82916800  0.99201800  1.0
  Al  Al43  1  0.26849700  0.67083200  0.49201800  1.0
  Al  Al44  1  0.76849700  0.82916800  0.99201800  1.0
  Al  Al45  1  0.73150300  0.67083200  0.49201800  1.0
  Al  Al46  1  0.25078400  0.00000000  0.50000000  1.0
  Al  Al47  1  0.24921600  0.50000000  0.00000000  1.0
  Al  Al48  1  0.74921600  0.00000000  0.50000000  1.0
  Al  Al49  1  0.75078400  0.50000000  0.00000000  1.0
  Al  Al50  1  0.21976100  0.73431300  0.67906200  1.0
  Al  Al51  1  0.28023900  0.76568700  0.17906200  1.0
  Al  Al52  1  0.78023900  0.73431300  0.67906200  1.0
  Al  Al53  1  0.71976100  0.76568700  0.17906200  1.0
  Al  Al54  1  0.22078300  0.97136000  0.13417600  1.0
  Al  Al55  1  0.27921700  0.52864000  0.63417600  1.0
  Al  Al56  1  0.77921700  0.97136000  0.13417600  1.0
  Al  Al57  1  0.72078300  0.52864000  0.63417600  1.0
  Al  Al58  1  0.20973500  0.34142800  0.13178400  1.0
  Al  Al59  1  0.29026500  0.15857200  0.63178400  1.0
  Al  Al60  1  0.79026500  0.34142800  0.13178400  1.0
  Al  Al61  1  0.70973500  0.15857200  0.63178400  1.0
  Al  Al62  1  0.22162100  0.04481700  0.31649600  1.0
  Al  Al63  1  0.27837900  0.45518300  0.81649600  1.0
  Al  Al64  1  0.77837900  0.04481700  0.31649600  1.0
  Al  Al65  1  0.72162100  0.45518300  0.81649600  1.0
  Al  Al66  1  0.23150300  0.17083200  0.00798200  1.0
  Al  Al67  1  0.26849700  0.32916800  0.50798200  1.0
  Al  Al68  1  0.76849700  0.17083200  0.00798200  1.0
  Al  Al69  1  0.73150300  0.32916800  0.50798200  1.0
  Al  Al70  1  0.21976100  0.26568700  0.32093800  1.0
  Al  Al71  1  0.28023900  0.23431300  0.82093800  1.0
  Al  Al72  1  0.78023900  0.26568700  0.32093800  1.0
  Al  Al73  1  0.71976100  0.23431300  0.82093800  1.0
  Al  Al74  1  0.22078300  0.02864000  0.86582400  1.0
  Al  Al75  1  0.27921700  0.47136000  0.36582400  1.0
  Al  Al76  1  0.77921700  0.02864000  0.86582400  1.0
  Al  Al77  1  0.72078300  0.47136000  0.36582400  1.0
  Co  Co78  1  0.00000000  0.64588500  0.58350400  1.0
  Co  Co79  1  0.50000000  0.85411500  0.08350400  1.0
  Co  Co80  1  0.00000000  0.83744900  0.10060300  1.0
  Co  Co81  1  0.50000000  0.66255100  0.60060300  1.0
  Co  Co82  1  0.00000000  0.95070500  0.40903400  1.0
  Co  Co83  1  0.50000000  0.54929500  0.90903400  1.0
  Co  Co84  1  0.00000000  0.51873900  0.89775700  1.0
  Co  Co85  1  0.50000000  0.98126100  0.39775700  1.0
  Co  Co86  1  0.00000000  0.35411500  0.41649600  1.0
  Co  Co87  1  0.50000000  0.14588500  0.91649600  1.0
  Co  Co88  1  0.00000000  0.16255100  0.89939700  1.0
  Co  Co89  1  0.50000000  0.33744900  0.39939700  1.0
  Co  Co90  1  0.00000000  0.48126100  0.10224300  1.0
  Co  Co91  1  0.50000000  0.01873900  0.60224300  1.0
  Co  Co92  1  0.00000000  0.04929500  0.59096600  1.0
  Co  Co93  1  0.50000000  0.45070500  0.09096600  1.0
  Co  Co94  1  0.22262500  0.65674300  0.32280200  1.0
  Co  Co95  1  0.27737500  0.84325700  0.82280200  1.0
  Co  Co96  1  0.77737500  0.65674300  0.32280200  1.0
  Co  Co97  1  0.72262500  0.84325700  0.82280200  1.0
  Co  Co98  1  0.22262500  0.34325700  0.67719800  1.0
  Co  Co99  1  0.27737500  0.15674300  0.17719800  1.0
  Co  Co100  1  0.77737500  0.34325700  0.67719800  1.0
  Co  Co101  1  0.72262500  0.15674300  0.17719800  1.0

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