Basic Information
Formula
UWC2
MP-ID
mp-652608
Elements
3
Sites
16
Density
14.8093
g/cm³
Volume
199.99
ų
Cell a
3.2257
Å
Cell b
5.6249
Å
Cell c
11.0220
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
Yes
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 |
|---|---|---|---|
| 28.84 | 3.0959 | 2.4 | (1,0,1) |
| 29.03 | 3.0760 | 11.1 | (0,1,3) |
| 31.82 | 2.8125 | 12.2 | (0,2,0) |
| 32.49 | 2.7555 | 30.7 | (0,0,4) |
| 32.87 | 2.7251 | 27.7 | (0,2,1) |
| 33.03 | 2.7122 | 16.6 | (1,1,1) |
| 36.00 | 2.4950 | 100.0 | (1,1,2) |
| 36.30 | 2.4745 | 3.5 | (0,1,4) |
| 37.09 | 2.4240 | 1.2 | (1,0,3) |
| 40.39 | 2.2332 | 16.9 | (0,2,3) |
| 40.52 | 2.2261 | 11.4 | (1,1,3) |
| 44.12 | 2.0524 | 2.9 | (0,1,5) |
| 45.86 | 1.9785 | 3.6 | (1,2,2) |
| 46.12 | 1.9683 | 9.1 | (0,2,4) |
| 50.12 | 1.8200 | 7.8 | (1,0,5) |
| 52.76 | 1.7350 | 5.8 | (0,2,5) |
| 52.87 | 1.7316 | 4.0 | (1,1,5) |
| 57.11 | 1.6129 | 10.1 | (2,0,0) |
| 57.46 | 1.6038 | 19.2 | (1,3,1) |
| 59.65 | 1.5501 | 3.6 | (0,3,4) |
| 60.27 | 1.5357 | 13.3 | (1,1,6) |
| 60.60 | 1.5280 | 2.4 | (1,2,5) |
| 61.12 | 1.5163 | 5.2 | (0,1,7) |
| 62.64 | 1.4831 | 11.4 | (1,3,3) |
Energy Properties
Formation Energy/atom
-0.36806
eV/atom
Energy/atom
-38.16913
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.1691
eV/atom
Volume/atom
12.50
ų
c/a Ratio
3.4169
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
C · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.469
Family
Interstitial Alloy
Matrix Element
C · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-652608
Reference Citation
The crystal structure and related material properties of UWC2 were obtained from the Materials Project database (MP-ID: mp-652608, 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_UWC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22571759
_cell_length_b 5.62491156
_cell_length_c 11.02198885
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UWC2
_chemical_formula_sum 'U4 W4 C8'
_cell_volume 199.98711174
_cell_formula_units_Z 4
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 0.25000000 0.07969367 0.85790451 1.0
U U1 1 0.25000000 0.57969367 0.64209549 1.0
U U2 1 0.75000000 0.92031094 0.14207655 1.0
U U3 1 0.75000000 0.42031094 0.35792345 1.0
W W4 1 0.25000000 0.42168467 0.10182040 1.0
W W5 1 0.25000000 0.92168467 0.39817960 1.0
W W6 1 0.75000000 0.57831185 0.89815363 1.0
W W7 1 0.75000000 0.07831185 0.60184637 1.0
C C8 1 0.25000000 0.16229483 0.24432179 1.0
C C9 1 0.25000000 0.66229483 0.25567821 1.0
C C10 1 0.75000000 0.83770790 0.75568264 1.0
C C11 1 0.75000000 0.33770790 0.74431736 1.0
C C12 1 0.25000000 0.75065194 0.99258003 1.0
C C13 1 0.25000000 0.25065194 0.50741997 1.0
C C14 1 0.75000000 0.24934419 0.00744178 1.0
C C15 1 0.75000000 0.74934419 0.49255822 1.0
