UPb2
Traditional Materials TRAMP-ID: mp-1077277 · Space group: P-1 (#2)
Basic Information
Formula
UPb2
MP-ID
mp-1077277
Elements
2
Sites
6
Density
12.5048
g/cm³
Volume
173.28
ų
Cell a
3.7240
Å
Cell b
5.4840
Å
Cell c
8.7282
Å
α Angle
78.39
°
β Angle
83.25
°
γ Angle
86.56
°
Space Group
P-1
Point Group
-1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 10.41 | 8.4998 | 22.9 | (0,0,1) |
| 16.51 | 5.3681 | 22.1 | (0,1,0) |
| 17.73 | 5.0026 | 10.4 | (0,1,1) |
| 21.24 | 4.1838 | 11.8 | (0,1,-1) |
| 24.03 | 3.7038 | 3.0 | (0,1,2) |
| 27.33 | 3.2628 | 8.9 | (1,0,-1) |
| 28.58 | 3.1229 | 11.1 | (1,1,1) |
| 28.81 | 3.0986 | 16.4 | (1,1,0) |
| 29.25 | 3.0537 | 30.2 | (0,1,-2) |
| 29.86 | 2.9922 | 1.7 | (1,-1,0) |
| 30.29 | 2.9508 | 38.8 | (1,0,2) |
| 31.48 | 2.8419 | 100.0 | (1,-1,-1) |
| 31.58 | 2.8333 | 59.4 | (0,0,3) |
| 32.10 | 2.7884 | 60.2 | (1,1,2) |
| 32.71 | 2.7374 | 69.0 | (1,1,-1) |
| 32.72 | 2.7367 | 84.5 | (0,1,3) |
| 32.97 | 2.7168 | 21.3 | (0,2,1) |
| 33.38 | 2.6841 | 55.6 | (0,2,0) |
| 33.82 | 2.6507 | 2.8 | (1,0,-2) |
| 35.90 | 2.5013 | 1.9 | (0,2,2) |
| 36.34 | 2.4722 | 2.4 | (1,-1,-2) |
| 37.05 | 2.4267 | 5.2 | (0,2,-1) |
| 37.12 | 2.4219 | 64.4 | (1,-1,2) |
| 38.44 | 2.3417 | 1.5 | (1,1,3) |
Energy Properties
Formation Energy/atom
0.20941
eV/atom
Energy/atom
-63.96136
eV/atom
Energy above Hull
0.2094
eV/atom
Uncorrected Energy
-6.0295
eV/atom
Volume/atom
28.88
ų
c/a Ratio
2.3438
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0080
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000050
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pb · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.648
Family
Binary Alloy
Matrix Element
Pb · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1077277
Reference Citation
The crystal structure and related material properties of UPb2 were obtained from the Materials Project database (MP-ID: mp-1077277, 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_UPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72401100
_cell_length_b 5.48404104
_cell_length_c 8.72818700
_cell_angle_alpha 78.39257235
_cell_angle_beta 83.24841608
_cell_angle_gamma 86.55864302
_symmetry_Int_Tables_number 1
_chemical_formula_structural UPb2
_chemical_formula_sum 'U2 Pb4'
_cell_volume 173.27499745
_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 0.74427800 0.65347300 0.97298700 1.0
U U1 1 0.25572200 0.34652700 0.02701300 1.0
Pb Pb2 1 0.85263400 0.20604400 0.73666300 1.0
Pb Pb3 1 0.14736600 0.79395600 0.26333700 1.0
Pb Pb4 1 0.35015400 0.71417200 0.63659600 1.0
Pb Pb5 1 0.64984600 0.28582800 0.36340400 1.0
