Basic Information
Formula
UCr3
MP-ID
mp-981233
Elements
2
Sites
4
Density
11.5219
g/cm³
Volume
56.79
ų
Cell a
4.3144
Å
Cell b
4.3144
Å
Cell c
4.3144
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 25.28 | 3.5227 | 48.5 | (1,1,1) |
| 29.27 | 3.0507 | 25.6 | (1,1,0) |
| 41.88 | 2.1572 | 100.0 | (2,1,1) |
| 49.55 | 1.8397 | 26.2 | (2,2,1) |
| 51.91 | 1.7613 | 7.7 | (2,2,2) |
| 60.72 | 1.5254 | 16.2 | (2,2,0) |
| 66.84 | 1.3998 | 11.6 | (3,2,2) |
| 68.81 | 1.3643 | 10.7 | (3,2,1) |
| 76.48 | 1.2455 | 33.0 | (3,3,2) |
| 82.07 | 1.1742 | 9.5 | (3,3,1) |
Energy Properties
Formation Energy/atom
0.37016
eV/atom
Energy/atom
-30.92036
eV/atom
Energy above Hull
0.3702
eV/atom
Uncorrected Energy
-9.6925
eV/atom
Volume/atom
14.20
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.9462
μB
Mag. Ordering
FiM
Mag. Sites
4
Magnetization/Volume
0.016660
μB/ų
Elastic Properties
KVRH
177.103
GPa
GVRH
26.475
GPa
Young's Modulus E
75.655
GPa
Poisson Ratio ν
0.429
Pugh Ratio K/G
6.689
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.683
Lame λ
159.453
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.606
Family
Binary Alloy
Matrix Element
Cr · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-981233
Reference Citation
The crystal structure and related material properties of UCr3 were obtained from the Materials Project database (MP-ID: mp-981233, 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_UCr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31438657
_cell_length_b 4.31438657
_cell_length_c 4.31438657
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UCr3
_chemical_formula_sum 'U1 Cr3'
_cell_volume 56.78611639
_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
Cr Cr1 1 0.75000000 0.75000000 0.75000000 1.0
Cr Cr2 1 0.25000000 0.25000000 0.25000000 1.0
Cr Cr3 1 0.50000000 0.50000000 0.50000000 1.0
