Basic Information
Formula
TbCu5
MP-ID
mp-11363
Elements
2
Sites
6
Density
9.0742
g/cm³
Volume
87.23
ų
Cell a
4.9857
Å
Cell b
4.9857
Å
Cell c
4.0520
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 |
|---|---|---|---|
| 20.57 | 4.3177 | 1.1 | (1,-1,0,0) |
| 21.94 | 4.0520 | 11.4 | (0,0,0,1) |
| 30.25 | 2.9547 | 100.0 | (1,0,-1,1) |
| 36.03 | 2.4928 | 21.8 | (1,-2,1,0) |
| 36.03 | 2.4928 | 43.6 | (2,-1,-1,0) |
| 41.84 | 2.1589 | 24.3 | (0,2,-2,0) |
| 41.84 | 2.1589 | 24.3 | (2,-2,0,0) |
| 41.84 | 2.1589 | 24.3 | (2,0,-2,0) |
| 42.58 | 2.1232 | 70.4 | (1,-2,1,1) |
| 42.58 | 2.1232 | 70.4 | (1,1,-2,1) |
| 42.58 | 2.1232 | 70.4 | (2,-1,-1,1) |
| 44.73 | 2.0260 | 57.7 | (0,0,0,2) |
| 47.73 | 1.9053 | 5.0 | (0,2,-2,1) |
| 47.73 | 1.9053 | 5.0 | (2,-2,0,1) |
| 47.73 | 1.9053 | 5.0 | (2,0,-2,1) |
| 58.73 | 1.5722 | 10.3 | (1,-2,1,2) |
| 58.73 | 1.5722 | 20.7 | (2,-1,-1,2) |
| 61.23 | 1.5138 | 4.5 | (1,-3,2,1) |
| 61.23 | 1.5138 | 4.5 | (2,-3,1,1) |
| 61.23 | 1.5138 | 4.5 | (1,2,-3,1) |
| 61.23 | 1.5138 | 9.0 | (3,-2,-1,1) |
| 61.23 | 1.5138 | 4.5 | (3,-1,-2,1) |
| 62.91 | 1.4773 | 14.0 | (0,2,-2,2) |
| 62.91 | 1.4773 | 14.0 | (2,-2,0,2) |
Energy Properties
Formation Energy/atom
-0.20236
eV/atom
Energy/atom
-14.44576
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.4458
eV/atom
Volume/atom
14.54
ų
c/a Ratio
0.8127
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
KVRH
109.637
GPa
GVRH
39.212
GPa
Young's Modulus E
105.106
GPa
Poisson Ratio ν
0.340
Pugh Ratio K/G
2.796
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.053
Lame λ
83.496
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.797
Family
Cu-based Alloy
Matrix Element
Cu · 0.833
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11363
Reference Citation
The crystal structure and related material properties of TbCu5 were obtained from the Materials Project database (MP-ID: mp-11363, 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_TbCu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98564505
_cell_length_b 4.98564740
_cell_length_c 4.05203150
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000461
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbCu5
_chemical_formula_sum 'Tb1 Cu5'
_cell_volume 87.22607715
_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
Tb Tb0 1 -0.00000000 -0.00000000 0.00000000 1.0
Cu Cu1 1 -0.00000000 0.50000000 0.50000000 1.0
Cu Cu2 1 0.33333300 0.66666700 -0.00000000 1.0
Cu Cu3 1 0.66666700 0.33333300 -0.00000000 1.0
Cu Cu4 1 0.50000000 -0.00000000 0.50000000 1.0
Cu Cu5 1 0.50000000 0.50000000 0.50000000 1.0
