Basic Information
Formula
UB2Os3
MP-ID
mp-10132
Elements
3
Sites
6
Density
17.3886
g/cm³
Volume
79.29
ų
Cell a
5.5332
Å
Cell b
5.5333
Å
Cell c
2.9905
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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 |
|---|---|---|---|
| 29.88 | 2.9905 | 29.8 | (0,0,0,1) |
| 35.38 | 2.5370 | 63.7 | (0,1,-1,1) |
| 35.38 | 2.5370 | 63.7 | (1,0,-1,1) |
| 35.38 | 2.5370 | 63.7 | (1,-1,0,1) |
| 37.54 | 2.3960 | 100.0 | (0,2,-2,0) |
| 37.54 | 2.3960 | 100.0 | (2,0,-2,0) |
| 37.54 | 2.3960 | 100.0 | (2,-2,0,0) |
| 44.62 | 2.0309 | 37.5 | (1,1,-2,1) |
| 44.62 | 2.0309 | 37.5 | (1,-2,1,1) |
| 44.62 | 2.0308 | 37.5 | (2,-1,-1,1) |
| 48.70 | 1.8699 | 18.1 | (0,2,-2,1) |
| 48.70 | 1.8699 | 18.1 | (2,0,-2,1) |
| 48.70 | 1.8699 | 18.1 | (2,-2,0,1) |
| 59.69 | 1.5492 | 14.6 | (1,2,-3,1) |
| 59.69 | 1.5492 | 14.6 | (1,-3,2,1) |
| 59.69 | 1.5492 | 14.6 | (2,1,-3,1) |
| 59.69 | 1.5492 | 14.6 | (2,-3,1,1) |
| 59.69 | 1.5492 | 14.6 | (3,-1,-2,1) |
| 59.69 | 1.5492 | 14.6 | (3,-2,-1,1) |
| 62.07 | 1.4953 | 24.9 | (0,0,0,2) |
| 66.35 | 1.4089 | 11.8 | (0,3,-3,1) |
| 66.35 | 1.4089 | 11.8 | (3,0,-3,1) |
| 66.35 | 1.4089 | 11.8 | (3,-3,0,1) |
| 67.74 | 1.3833 | 19.3 | (2,2,-4,0) |
Energy Properties
Formation Energy/atom
-0.32522
eV/atom
Energy/atom
-10.04727
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-42.6930
eV/atom
Volume/atom
13.22
ų
c/a Ratio
0.5405
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.1039
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.013920
μB/ų
Elastic Properties
KVRH
295.443
GPa
GVRH
141.007
GPa
Young's Modulus E
364.959
GPa
Poisson Ratio ν
0.294
Pugh Ratio K/G
2.095
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.005
Lame λ
201.438
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Os · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.333
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.491
Family
Interstitial Alloy
Matrix Element
Os · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-10132
Reference Citation
The crystal structure and related material properties of UB2Os3 were obtained from the Materials Project database (MP-ID: mp-10132, 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_UB2Os3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53321660
_cell_length_b 5.53326344
_cell_length_c 2.99053707
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99955508
_symmetry_Int_Tables_number 1
_chemical_formula_structural UB2Os3
_chemical_formula_sum 'U1 B2 Os3'
_cell_volume 79.29408419
_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 -0.00000000 0.00000000 -0.00000000 1.0
B B1 1 0.33333100 0.66666500 -0.00000000 1.0
B B2 1 0.66666900 0.33333500 -0.00000000 1.0
Os Os3 1 0.50000000 0.50000000 0.50000000 1.0
Os Os4 1 -0.00000000 0.50000000 0.50000000 1.0
Os Os5 1 0.50000000 0.00000000 0.50000000 1.0
