Basic Information
Formula
Al(CoSi)2
MP-ID
mp-10010
Elements
3
Sites
5
Density
5.5538
g/cm³
Volume
60.10
ų
Cell a
3.8894
Å
Cell b
3.8894
Å
Cell c
4.5878
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
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)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.35 | 4.5878 | 27.3 | (0,0,0,1) |
| 26.46 | 3.3683 | 45.6 | (1,0,-1,0) |
| 32.99 | 2.7151 | 33.8 | (1,0,-1,1) |
| 39.28 | 2.2939 | 2.9 | (0,0,0,2) |
| 46.71 | 1.9447 | 32.1 | (2,-1,-1,0) |
| 46.71 | 1.9447 | 64.2 | (1,1,-2,0) |
| 47.98 | 1.8960 | 100.0 | (1,0,-1,2) |
| 51.01 | 1.7905 | 4.0 | (2,-1,-1,1) |
| 51.01 | 1.7905 | 7.9 | (1,1,-2,1) |
| 54.48 | 1.6842 | 5.4 | (2,0,-2,0) |
| 58.37 | 1.5810 | 5.8 | (2,0,-2,1) |
| 62.63 | 1.4834 | 1.3 | (2,-1,-1,2) |
| 62.63 | 1.4834 | 2.5 | (1,1,-2,2) |
| 67.23 | 1.3925 | 5.2 | (1,0,-1,3) |
| 69.20 | 1.3576 | 31.4 | (2,0,-2,2) |
| 74.54 | 1.2731 | 2.7 | (3,-1,-2,0) |
| 74.54 | 1.2731 | 1.3 | (1,2,-3,0) |
| 77.87 | 1.2268 | 4.3 | (3,-1,-2,1) |
| 79.78 | 1.2021 | 1.0 | (2,-1,-1,3) |
| 84.47 | 1.1469 | 1.0 | (0,0,0,4) |
| 85.83 | 1.1322 | 2.5 | (2,0,-2,3) |
| 86.73 | 1.1228 | 10.0 | (3,0,-3,0) |
| 86.73 | 1.1228 | 5.0 | (0,3,-3,0) |
| 87.67 | 1.1132 | 21.9 | (3,-1,-2,2) |
Energy Properties
Formation Energy/atom
-0.47015
eV/atom
Energy/atom
-10.61977
eV/atom
Energy above Hull
0.0152
eV/atom
Uncorrected Energy
-10.6198
eV/atom
Volume/atom
12.02
ų
c/a Ratio
1.1796
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
187.321
GPa
GVRH
97.117
GPa
Young's Modulus E
248.420
GPa
Poisson Ratio ν
0.279
Pugh Ratio K/G
1.929
Vickers Hardness Est.
10.484
GPa
Ductility
Brittle
Anisotropy
0.230
Lame λ
122.576
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.400
Element Family
3d-TM
Solute Fraction
0.600
Interstitial Fraction
0.400
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2300
Homogeneous Poisson ν
0.2790
Debye Temperature
605.3
K
Sound Velocity
4,658.6
m/s
Homogeneity
0.2790
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10010
Reference Citation
The crystal structure and related material properties of Al(CoSi)2 were obtained from the Materials Project database (MP-ID: mp-10010, 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_Al(CoSi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88939747
_cell_length_b 3.88939721
_cell_length_c 4.58775416
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000210
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al(CoSi)2
_chemical_formula_sum 'Al1 Co2 Si2'
_cell_volume 60.10289428
_cell_formula_units_Z 1
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
Co Co1 1 0.66666700 0.33333300 0.16210706 1.0
Co Co2 1 0.33333300 0.66666700 0.83789194 1.0
Si Si3 1 0.33333300 0.66666700 0.34807052 1.0
Si Si4 1 0.66666700 0.33333300 0.65192948 1.0
