Basic Information
Formula
UAl4Co
MP-ID
mp-30914
Elements
3
Sites
18
Density
6.8625
g/cm³
Volume
293.92
ų
Cell a
9.1038
Å
Cell b
9.1038
Å
Cell c
4.0950
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-62m
Point Group
-6m2
Crystal System
Hexagonal
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 |
|---|---|---|---|
| 11.22 | 7.8841 | 32.0 | (1,0,-1,0) |
| 19.50 | 4.5519 | 93.9 | (2,-1,-1,0) |
| 21.70 | 4.0950 | 83.1 | (0,0,0,1) |
| 22.56 | 3.9421 | 58.7 | (2,0,-2,0) |
| 24.50 | 3.6340 | 14.1 | (1,0,-1,1) |
| 29.34 | 3.0443 | 64.0 | (2,-1,-1,1) |
| 29.34 | 3.0443 | 32.0 | (1,1,-2,1) |
| 29.99 | 2.9799 | 24.2 | (3,-1,-2,0) |
| 29.99 | 2.9799 | 12.1 | (2,1,-3,0) |
| 31.50 | 2.8400 | 24.1 | (2,-2,0,1) |
| 31.50 | 2.8400 | 48.1 | (2,0,-2,1) |
| 34.12 | 2.6281 | 30.2 | (3,0,-3,0) |
| 37.32 | 2.4095 | 73.7 | (3,-1,-2,1) |
| 37.32 | 2.4095 | 36.9 | (2,1,-3,1) |
| 39.60 | 2.2760 | 9.6 | (4,-2,-2,0) |
| 40.80 | 2.2117 | 72.9 | (3,0,-3,1) |
| 41.29 | 2.1867 | 100.0 | (4,-1,-3,0) |
| 44.24 | 2.0475 | 38.2 | (0,0,0,2) |
| 45.60 | 1.9893 | 18.8 | (4,-2,-2,1) |
| 45.79 | 1.9817 | 2.4 | (1,0,-1,2) |
| 47.12 | 1.9289 | 42.6 | (4,-1,-3,1) |
| 47.12 | 1.9289 | 21.3 | (3,1,-4,1) |
| 48.77 | 1.8673 | 12.8 | (2,-1,-1,2) |
| 48.77 | 1.8673 | 6.4 | (1,1,-2,2) |
Energy Properties
Formation Energy/atom
-0.33823
eV/atom
Energy/atom
-20.35568
eV/atom
Energy above Hull
0.0300
eV/atom
Uncorrected Energy
-5.8804
eV/atom
Volume/atom
16.33
ų
c/a Ratio
0.4498
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
5.5467
μB
Mag. Ordering
FiM
Mag. Sites
6
Magnetization/Volume
0.018870
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.731
Family
Al-based Alloy
Matrix Element
Al · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30914
Reference Citation
The crystal structure and related material properties of UAl4Co were obtained from the Materials Project database (MP-ID: mp-30914, 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_UAl4Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.10381470
_cell_length_b 9.10381470
_cell_length_c 4.09494900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000506
_symmetry_Int_Tables_number 1
_chemical_formula_structural UAl4Co
_chemical_formula_sum 'U3 Al12 Co3'
_cell_volume 293.91782517
_cell_formula_units_Z 3
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 0.00000000 0.40927500 0.00000000 1.0
U U1 1 0.59072500 0.59072500 0.00000000 1.0
U U2 1 0.40927500 0.00000000 0.00000000 1.0
Al Al3 1 0.00000000 0.74155700 0.00000000 1.0
Al Al4 1 0.25844300 0.25844300 0.00000000 1.0
Al Al5 1 0.74155700 0.00000000 0.00000000 1.0
Al Al6 1 0.00000000 0.16942600 0.50000000 1.0
Al Al7 1 0.83057400 0.83057400 0.50000000 1.0
Al Al8 1 0.16942600 0.00000000 0.50000000 1.0
Al Al9 1 0.29700200 0.48009300 0.50000000 1.0
Al Al10 1 0.18309100 0.70299800 0.50000000 1.0
Al Al11 1 0.51990700 0.81690900 0.50000000 1.0
Al Al12 1 0.81690900 0.51990700 0.50000000 1.0
Al Al13 1 0.70299800 0.18309100 0.50000000 1.0
Al Al14 1 0.48009300 0.29700200 0.50000000 1.0
Co Co15 1 0.66666700 0.33333300 0.00000000 1.0
Co Co16 1 0.33333300 0.66666700 0.00000000 1.0
Co Co17 1 0.00000000 0.00000000 0.00000000 1.0
