UGa
Traditional Materials TRAMP-ID: mp-971875 · Space group: P-6m2 (#187)
Basic Information
Formula
UGa
MP-ID
mp-971875
Elements
2
Sites
2
Density
13.0970
g/cm³
Volume
39.02
ų
Cell a
2.9112
Å
Cell b
2.9112
Å
Cell c
5.3161
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
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 |
|---|---|---|---|
| 16.68 | 5.3161 | 64.3 | (0,0,0,1) |
| 33.72 | 2.6581 | 47.1 | (0,0,0,2) |
| 35.61 | 2.5212 | 36.3 | (1,0,-1,0) |
| 35.61 | 2.5212 | 18.2 | (1,-1,0,0) |
| 39.56 | 2.2780 | 100.0 | (1,0,-1,1) |
| 39.56 | 2.2780 | 50.0 | (1,-1,0,1) |
| 49.85 | 1.8292 | 28.7 | (1,0,-1,2) |
| 49.85 | 1.8292 | 14.4 | (1,-1,0,2) |
| 51.58 | 1.7720 | 3.9 | (0,0,0,3) |
| 63.96 | 1.4556 | 7.6 | (1,1,-2,0) |
| 63.96 | 1.4556 | 15.3 | (2,-1,-1,0) |
| 64.25 | 1.4498 | 24.8 | (1,0,-1,3) |
| 64.25 | 1.4498 | 12.4 | (1,-1,0,3) |
| 66.61 | 1.4039 | 3.9 | (1,1,-2,1) |
| 66.61 | 1.4039 | 7.7 | (2,-1,-1,1) |
| 70.91 | 1.3290 | 5.7 | (0,0,0,4) |
| 74.29 | 1.2767 | 10.1 | (1,1,-2,2) |
| 74.29 | 1.2767 | 20.2 | (2,-1,-1,2) |
| 75.40 | 1.2606 | 4.5 | (2,0,-2,0) |
| 75.40 | 1.2606 | 2.3 | (2,-2,0,0) |
| 77.88 | 1.2266 | 14.7 | (2,0,-2,1) |
| 77.88 | 1.2266 | 7.4 | (2,-2,0,1) |
| 81.95 | 1.1757 | 7.5 | (1,0,-1,4) |
| 81.95 | 1.1757 | 3.8 | (1,-1,0,4) |
Energy Properties
Formation Energy/atom
-0.17243
eV/atom
Energy/atom
-45.86483
eV/atom
Energy above Hull
0.0857
eV/atom
Uncorrected Energy
-45.8648
eV/atom
Volume/atom
19.51
ų
c/a Ratio
1.8261
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0231
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.051850
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
U · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.567
Family
Binary Alloy
Matrix Element
U · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-971875
Reference Citation
The crystal structure and related material properties of UGa were obtained from the Materials Project database (MP-ID: mp-971875, 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_UGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91123749
_cell_length_b 2.91123749
_cell_length_c 5.31609984
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99997473
_symmetry_Int_Tables_number 1
_chemical_formula_structural UGa
_chemical_formula_sum 'U1 Ga1'
_cell_volume 39.01927009
_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
U U0 1 0.33333300 0.66666700 0.00000000 1.0
Ga Ga1 1 0.66666700 0.33333300 0.50000000 1.0
