Basic Information
Formula
UC2
MP-ID
mp-1008642
Elements
2
Sites
3
Density
11.1337
g/cm³
Volume
39.08
ų
Cell a
3.8092
Å
Cell b
3.8092
Å
Cell c
3.8092
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 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.70 | 3.1102 | 100.0 | (1,1,1) |
| 33.26 | 2.6935 | 42.2 | (1,1,0) |
| 47.75 | 1.9046 | 44.8 | (2,1,1) |
| 56.67 | 1.6243 | 47.0 | (2,2,1) |
| 59.44 | 1.5551 | 11.8 | (2,2,2) |
| 69.84 | 1.3468 | 7.4 | (2,2,0) |
| 77.19 | 1.2359 | 20.1 | (3,2,2) |
| 79.58 | 1.2046 | 16.5 | (3,2,1) |
| 89.03 | 1.0996 | 16.9 | (3,3,2) |
Energy Properties
Formation Energy/atom
0.40547
eV/atom
Energy/atom
-32.87337
eV/atom
Energy above Hull
0.6474
eV/atom
Uncorrected Energy
-9.3799
eV/atom
Volume/atom
13.03
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0020
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000050
μB/ų
Elastic Properties
KVRH
197.231
GPa
GVRH
100.403
GPa
Young's Modulus E
257.512
GPa
Poisson Ratio ν
0.282
Pugh Ratio K/G
1.964
Vickers Hardness Est.
10.458
GPa
Ductility
Brittle
Anisotropy
0.925
Lame λ
130.296
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.667
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.9250
Homogeneous Poisson ν
0.2820
Debye Temperature
939.0
K
Sound Velocity
3,346.9
m/s
Homogeneity
0.2820
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1008642
Reference Citation
The crystal structure and related material properties of UC2 were obtained from the Materials Project database (MP-ID: mp-1008642, 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_UC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80921817
_cell_length_b 3.80921817
_cell_length_c 3.80921817
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UC2
_chemical_formula_sum 'U1 C2'
_cell_volume 39.08341862
_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
C C1 1 0.75000000 0.75000000 0.75000000 1.0
C C2 1 0.25000000 0.25000000 0.25000000 1.0
