Basic Information
Formula
U(CoGe)6
MP-ID
mp-1103983
Elements
3
Sites
13
Density
9.6241
g/cm³
Volume
177.28
ų
Cell a
5.0956
Å
Cell b
5.0956
Å
Cell c
7.8839
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
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 |
|---|---|---|---|
| 11.22 | 7.8839 | 20.8 | (0,0,0,1) |
| 20.12 | 4.4129 | 8.6 | (1,0,-1,0) |
| 22.56 | 3.9419 | 2.1 | (0,0,0,2) |
| 23.10 | 3.8507 | 17.1 | (1,-1,0,1) |
| 23.10 | 3.8507 | 8.6 | (1,0,-1,1) |
| 30.41 | 2.9398 | 14.7 | (1,0,-1,2) |
| 34.12 | 2.6280 | 11.7 | (0,0,0,3) |
| 35.23 | 2.5478 | 23.7 | (1,-2,1,0) |
| 35.23 | 2.5478 | 47.4 | (2,-1,-1,0) |
| 37.08 | 2.4243 | 2.7 | (1,-2,1,1) |
| 37.08 | 2.4243 | 5.4 | (2,-1,-1,1) |
| 39.93 | 2.2579 | 45.7 | (1,0,-1,3) |
| 40.90 | 2.2065 | 18.2 | (0,2,-2,0) |
| 40.90 | 2.2065 | 36.4 | (2,0,-2,0) |
| 42.24 | 2.1398 | 100.0 | (2,-1,-1,2) |
| 42.55 | 2.1248 | 5.6 | (2,0,-2,1) |
| 46.05 | 1.9710 | 22.2 | (0,0,0,4) |
| 47.21 | 1.9254 | 23.1 | (2,0,-2,2) |
| 49.85 | 1.8292 | 8.1 | (1,-2,1,3) |
| 49.85 | 1.8292 | 16.1 | (2,-1,-1,3) |
| 50.73 | 1.7996 | 3.8 | (1,0,-1,4) |
| 54.29 | 1.6898 | 18.9 | (2,0,-2,3) |
| 55.06 | 1.6679 | 1.6 | (3,-1,-2,0) |
| 56.39 | 1.6318 | 4.3 | (3,-2,-1,1) |
Energy Properties
Formation Energy/atom
-0.20419
eV/atom
Energy/atom
-6.49881
eV/atom
Energy above Hull
0.0523
eV/atom
Uncorrected Energy
-6.4988
eV/atom
Volume/atom
13.64
ų
c/a Ratio
1.5472
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.3938
μB
Mag. Ordering
FM
Mag. Sites
7
Magnetization/Volume
0.002220
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.462
Element Family
N/A
Solute Fraction
0.538
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.657
Family
Co-based Alloy
Matrix Element
Co · 0.462
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1103983
Reference Citation
The crystal structure and related material properties of U(CoGe)6 were obtained from the Materials Project database (MP-ID: mp-1103983, 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_U(CoGe)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09557300
_cell_length_b 5.09557354
_cell_length_c 7.88386500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000298
_symmetry_Int_Tables_number 1
_chemical_formula_structural U(CoGe)6
_chemical_formula_sum 'U1 Co6 Ge6'
_cell_volume 177.27843092
_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
Co Co1 1 0.50000000 0.50000000 0.74992000 1.0
Co Co2 1 0.50000000 0.00000000 0.74992000 1.0
Co Co3 1 0.00000000 0.50000000 0.74992000 1.0
Co Co4 1 0.50000000 0.50000000 0.25008000 1.0
Co Co5 1 0.50000000 0.00000000 0.25008000 1.0
Co Co6 1 0.00000000 0.50000000 0.25008000 1.0
Ge Ge7 1 0.66666700 0.33333300 0.00000000 1.0
Ge Ge8 1 0.33333300 0.66666700 0.00000000 1.0
Ge Ge9 1 0.66666700 0.33333300 0.50000000 1.0
Ge Ge10 1 0.33333300 0.66666700 0.50000000 1.0
Ge Ge11 1 0.00000000 0.00000000 0.65373300 1.0
Ge Ge12 1 0.00000000 0.00000000 0.34626700 1.0
