Basic Information
Formula
TbNi5
MP-ID
mp-30808
Elements
2
Sites
6
Density
9.4802
g/cm³
Volume
79.24
ų
Cell a
4.8371
Å
Cell b
4.8370
Å
Cell c
3.9106
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 |
|---|---|---|---|
| 21.21 | 4.1892 | 1.6 | (1,0,-1,0) |
| 21.21 | 4.1891 | 1.6 | (0,1,-1,0) |
| 21.21 | 4.1889 | 1.6 | (1,-1,0,0) |
| 22.74 | 3.9106 | 19.1 | (0,0,0,1) |
| 31.29 | 2.8586 | 51.2 | (1,0,-1,1) |
| 31.29 | 2.8586 | 51.2 | (0,1,-1,1) |
| 31.29 | 2.8585 | 51.2 | (1,-1,0,1) |
| 37.17 | 2.4187 | 32.3 | (1,1,-2,0) |
| 37.18 | 2.4185 | 32.3 | (2,-1,-1,0) |
| 37.18 | 2.4185 | 32.3 | (1,-2,1,0) |
| 43.19 | 2.0946 | 35.2 | (2,0,-2,0) |
| 43.19 | 2.0946 | 35.2 | (0,2,-2,0) |
| 43.19 | 2.0945 | 35.2 | (2,-2,0,0) |
| 44.02 | 2.0570 | 100.0 | (1,1,-2,1) |
| 44.02 | 2.0569 | 100.0 | (2,-1,-1,1) |
| 44.02 | 2.0569 | 100.0 | (1,-2,1,1) |
| 46.44 | 1.9553 | 79.6 | (0,0,0,2) |
| 49.36 | 1.8464 | 5.5 | (2,0,-2,1) |
| 49.36 | 1.8464 | 5.5 | (0,2,-2,1) |
| 49.36 | 1.8463 | 5.5 | (2,-2,0,1) |
| 60.93 | 1.5206 | 14.9 | (1,1,-2,2) |
| 60.93 | 1.5205 | 14.9 | (2,-1,-1,2) |
| 60.93 | 1.5205 | 14.9 | (1,-2,1,2) |
| 63.37 | 1.4676 | 6.8 | (2,1,-3,1) |
Energy Properties
Formation Energy/atom
-0.32420
eV/atom
Energy/atom
-5.91395
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.4976
eV/atom
Volume/atom
13.21
ų
c/a Ratio
0.8085
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.8863
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.023800
μB/ų
Elastic Properties
KVRH
143.336
GPa
GVRH
72.199
GPa
Young's Modulus E
185.458
GPa
Poisson Ratio ν
0.284
Pugh Ratio K/G
1.985
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.118
Lame λ
95.203
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ni · 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
Ni-based Alloy
Matrix Element
Ni · 0.833
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30808
Reference Citation
The crystal structure and related material properties of TbNi5 were obtained from the Materials Project database (MP-ID: mp-30808, 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_TbNi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83704880
_cell_length_b 4.83703750
_cell_length_c 3.91059117
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99656441
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbNi5
_chemical_formula_sum 'Tb1 Ni5'
_cell_volume 79.24064550
_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
Ni Ni1 1 0.33333803 0.66666836 -0.00000000 1.0
Ni Ni2 1 0.66666197 0.33333164 -0.00000000 1.0
Ni Ni3 1 0.50000000 0.00000000 0.50000000 1.0
Ni Ni4 1 0.50000000 0.50000000 0.50000000 1.0
Ni Ni5 1 -0.00000000 0.50000000 0.50000000 1.0
