Basic Information
Formula
Ti2Rh
MP-ID
mp-1018124
Elements
2
Sites
3
Density
7.2152
g/cm³
Volume
45.72
ų
Cell a
3.0520
Å
Cell b
3.0520
Å
Cell c
5.3615
Å
α Angle
106.54
°
β Angle
106.54
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 |
|---|---|---|---|
| 18.07 | 4.9080 | 39.2 | (0,0,1) |
| 30.68 | 2.9144 | 33.1 | (1,0,-1) |
| 36.62 | 2.4540 | 3.9 | (0,0,2) |
| 40.42 | 2.2318 | 100.0 | (1,0,-2) |
| 40.42 | 2.2318 | 100.0 | (1,0,1) |
| 41.86 | 2.1581 | 90.4 | (1,-1,0) |
| 45.94 | 1.9755 | 3.7 | (1,1,-2) |
| 45.94 | 1.9755 | 11.0 | (1,-1,1) |
| 55.67 | 1.6511 | 5.3 | (1,0,-3) |
| 55.67 | 1.6511 | 5.3 | (1,0,2) |
| 56.23 | 1.6360 | 17.8 | (0,0,3) |
| 56.81 | 1.6206 | 3.6 | (1,1,-3) |
| 56.81 | 1.6206 | 1.2 | (1,1,1) |
| 60.69 | 1.5260 | 28.3 | (2,0,-1) |
| 63.88 | 1.4572 | 2.8 | (2,0,-2) |
| 63.88 | 1.4572 | 2.8 | (2,0,0) |
| 69.54 | 1.3519 | 7.0 | (2,1,-2) |
| 72.50 | 1.3037 | 7.9 | (1,1,-4) |
| 72.50 | 1.3037 | 15.9 | (1,-1,3) |
| 72.50 | 1.3037 | 7.9 | (1,1,2) |
| 73.01 | 1.2959 | 1.2 | (2,0,-3) |
| 73.01 | 1.2959 | 1.2 | (2,0,1) |
| 75.47 | 1.2597 | 28.6 | (2,1,-3) |
| 75.47 | 1.2597 | 28.6 | (2,-1,1) |
Energy Properties
Formation Energy/atom
-0.62576
eV/atom
Energy/atom
-8.34419
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.3359
eV/atom
Volume/atom
15.24
ų
c/a Ratio
1.7567
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
162.150
GPa
GVRH
84.389
GPa
Young's Modulus E
215.740
GPa
Poisson Ratio ν
0.278
Pugh Ratio K/G
1.921
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.131
Lame λ
105.891
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ti · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.868
Family
Ti-based Alloy
Matrix Element
Ti · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018124
Reference Citation
The crystal structure and related material properties of Ti2Rh were obtained from the Materials Project database (MP-ID: mp-1018124, 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_Ti2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05199018
_cell_length_b 3.05199018
_cell_length_c 5.36148088
_cell_angle_alpha 106.53626300
_cell_angle_beta 106.53626300
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2Rh
_chemical_formula_sum 'Ti2 Rh1'
_cell_volume 45.71597404
_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
Ti Ti0 1 0.66157794 0.66157794 0.32315788 1.0
Ti Ti1 1 0.33842206 0.33842206 0.67684212 1.0
Rh Rh2 1 0.00000000 0.00000000 0.00000000 1.0
