Basic Information
Formula
U2(Al3Co)3
MP-ID
mp-641651
Elements
3
Sites
28
Density
6.6996
g/cm³
Volume
444.00
ų
Cell a
7.4377
Å
Cell b
7.4377
Å
Cell c
9.1989
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.25
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 13.65 | 6.4895 | 19.3 | (1,0,-1,0) |
| 13.80 | 6.4167 | 23.8 | (1,-1,0,0) |
| 16.72 | 5.3028 | 64.1 | (1,0,-1,1) |
| 19.30 | 4.5995 | 21.7 | (0,0,0,2) |
| 23.66 | 3.7611 | 1.3 | (1,1,-2,0) |
| 23.71 | 3.7525 | 11.0 | (1,0,-1,2) |
| 23.80 | 3.7383 | 12.7 | (1,-1,0,2) |
| 23.93 | 3.7185 | 3.0 | (2,-1,-1,0) |
| 25.59 | 3.4813 | 51.7 | (1,1,-2,1) |
| 25.84 | 3.4475 | 100.0 | (2,-1,-1,1) |
| 27.49 | 3.2448 | 3.4 | (2,0,-2,0) |
| 27.81 | 3.2083 | 14.5 | (2,-2,0,0) |
| 29.18 | 3.0600 | 21.2 | (2,0,-2,1) |
| 30.71 | 2.9116 | 26.5 | (1,1,-2,2) |
| 30.92 | 2.8917 | 55.0 | (2,-1,-1,2) |
| 32.29 | 2.7724 | 16.6 | (1,0,-1,3) |
| 33.81 | 2.6514 | 6.0 | (2,0,-2,2) |
| 34.07 | 2.6314 | 24.7 | (2,-2,0,2) |
| 36.51 | 2.4608 | 13.9 | (2,1,-3,0) |
| 36.82 | 2.4409 | 2.4 | (3,-1,-2,0) |
| 37.01 | 2.4292 | 2.6 | (3,-2,-1,0) |
| 37.86 | 2.3766 | 44.7 | (1,1,-2,3) |
| 38.04 | 2.3657 | 88.2 | (2,-1,-1,3) |
| 38.15 | 2.3593 | 28.4 | (3,-1,-2,1) |
Energy Properties
Formation Energy/atom
-0.34509
eV/atom
Energy/atom
-18.92907
eV/atom
Energy above Hull
0.0500
eV/atom
Uncorrected Energy
-5.8787
eV/atom
Volume/atom
15.86
ų
c/a Ratio
1.2368
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
8.1516
μB
Mag. Ordering
FiM
Mag. Sites
8
Magnetization/Volume
0.018360
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.643
Element Family
N/A
Solute Fraction
0.357
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.709
Family
Al-based Alloy
Matrix Element
Al · 0.643
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-641651
Reference Citation
The crystal structure and related material properties of U2(Al3Co)3 were obtained from the Materials Project database (MP-ID: mp-641651, 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_U2(Al3Co)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43769942
_cell_length_b 7.43769942
_cell_length_c 9.19891900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.24765260
_symmetry_Int_Tables_number 1
_chemical_formula_structural U2(Al3Co)3
_chemical_formula_sum 'U4 Al18 Co6'
_cell_volume 444.00458372
_cell_formula_units_Z 2
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
U U0 1 0.67411300 0.99486900 0.25000000 1.0
U U1 1 0.32588700 0.00513100 0.75000000 1.0
U U2 1 0.99486900 0.67411300 0.25000000 1.0
U U3 1 0.00513100 0.32588700 0.75000000 1.0
Al Al4 1 0.33323300 0.33323300 0.95242800 1.0
Al Al5 1 0.33635500 0.99959100 0.42719900 1.0
Al Al6 1 0.00040900 0.66364500 0.92719900 1.0
Al Al7 1 0.44324200 0.65904500 0.75000000 1.0
Al Al8 1 0.66364500 0.00040900 0.57280100 1.0
Al Al9 1 0.55675800 0.34095500 0.25000000 1.0
Al Al10 1 0.66676700 0.66676700 0.04757200 1.0
Al Al11 1 0.33635500 0.99959100 0.07280100 1.0
Al Al12 1 0.99959100 0.33635500 0.42719900 1.0
Al Al13 1 0.00040900 0.66364500 0.57280100 1.0
Al Al14 1 0.66364500 0.00040900 0.92719900 1.0
Al Al15 1 0.12630100 0.12630100 0.25000000 1.0
Al Al16 1 0.34095500 0.55675800 0.25000000 1.0
Al Al17 1 0.99959100 0.33635500 0.07280100 1.0
Al Al18 1 0.33323300 0.33323300 0.54757200 1.0
Al Al19 1 0.66676700 0.66676700 0.45242800 1.0
Al Al20 1 0.65904500 0.44324200 0.75000000 1.0
Al Al21 1 0.87369900 0.87369900 0.75000000 1.0
Co Co22 1 0.32668500 0.67331500 0.50000000 1.0
Co Co23 1 0.32668500 0.67331500 0.00000000 1.0
Co Co24 1 0.00000000 0.00000000 0.00000000 1.0
Co Co25 1 0.67331500 0.32668500 0.00000000 1.0
Co Co26 1 0.67331500 0.32668500 0.50000000 1.0
Co Co27 1 0.00000000 0.00000000 0.50000000 1.0
