Lu3U
Traditional Materials TRAMP-ID: mp-973165 · Space group: P6_3/mmc (#194)
Basic Information
Formula
Lu3U
MP-ID
mp-973165
Elements
2
Sites
8
Density
11.1327
g/cm³
Volume
227.60
ų
Cell a
6.8911
Å
Cell b
6.8911
Å
Cell c
5.5342
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 |
|---|---|---|---|
| 14.84 | 5.9679 | 1.5 | (1,0,-1,0) |
| 21.90 | 4.0579 | 1.7 | (1,0,-1,1) |
| 25.86 | 3.4456 | 1.0 | (2,-1,-1,0) |
| 29.95 | 2.9840 | 23.4 | (2,0,-2,0) |
| 29.95 | 2.9840 | 11.7 | (2,-2,0,0) |
| 32.35 | 2.7671 | 38.4 | (0,0,0,2) |
| 34.14 | 2.6265 | 100.0 | (2,0,-2,1) |
| 34.14 | 2.6265 | 50.0 | (2,-2,0,1) |
| 44.66 | 2.0290 | 23.9 | (2,0,-2,2) |
| 53.16 | 1.7228 | 28.8 | (4,-2,-2,0) |
| 58.85 | 1.5691 | 32.1 | (2,0,-2,3) |
| 62.22 | 1.4920 | 3.0 | (4,0,-4,0) |
| 62.22 | 1.4920 | 1.5 | (4,-4,0,0) |
| 63.62 | 1.4625 | 33.9 | (4,-2,-2,2) |
| 64.71 | 1.4405 | 16.1 | (4,0,-4,1) |
| 64.71 | 1.4405 | 8.1 | (4,-4,0,1) |
| 67.73 | 1.3835 | 4.7 | (0,0,0,4) |
| 71.89 | 1.3132 | 6.0 | (4,0,-4,2) |
| 75.79 | 1.2552 | 3.5 | (2,0,-2,4) |
| 75.79 | 1.2552 | 1.7 | (2,-2,0,4) |
| 83.30 | 1.1601 | 8.2 | (4,0,-4,3) |
| 83.30 | 1.1601 | 4.1 | (4,-4,0,3) |
| 86.24 | 1.1278 | 2.5 | (6,-2,-4,0) |
| 86.24 | 1.1278 | 1.3 | (6,-4,-2,0) |
Energy Properties
Formation Energy/atom
0.38750
eV/atom
Energy/atom
-48.15792
eV/atom
Energy above Hull
0.3875
eV/atom
Uncorrected Energy
-5.8261
eV/atom
Volume/atom
28.45
ų
c/a Ratio
0.8031
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
5.5966
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.024590
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Lu · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.441
Family
Binary Alloy
Matrix Element
Lu · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-973165
Reference Citation
The crystal structure and related material properties of Lu3U were obtained from the Materials Project database (MP-ID: mp-973165, 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_Lu3U
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89113528
_cell_length_b 6.89113528
_cell_length_c 5.53416200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999304
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu3U
_chemical_formula_sum 'Lu6 U2'
_cell_volume 227.59571477
_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
Lu Lu0 1 0.16894500 0.33789000 0.25000000 1.0
Lu Lu1 1 0.66211000 0.83105500 0.25000000 1.0
Lu Lu2 1 0.16894500 0.83105500 0.25000000 1.0
Lu Lu3 1 0.83105500 0.66211000 0.75000000 1.0
Lu Lu4 1 0.33789000 0.16894500 0.75000000 1.0
Lu Lu5 1 0.83105500 0.16894500 0.75000000 1.0
U U6 1 0.33333300 0.66666700 0.75000000 1.0
U U7 1 0.66666700 0.33333300 0.25000000 1.0
