TbPd
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-999124 · Space group: Cmcm (#63)
Basic Information
Formula
TbPd
MP-ID
mp-999124
Elements
2
Sites
4
Density
9.8823
g/cm³
Volume
89.17
ų
Cell a
3.7057
Å
Cell b
4.5744
Å
Cell c
5.5773
Å
α Angle
90.00
°
β Angle
70.60
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
No
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 |
|---|---|---|---|
| 16.85 | 5.2606 | 3.2 | (0,0,1) |
| 25.81 | 3.4519 | 10.0 | (0,1,1) |
| 32.23 | 2.7773 | 100.0 | (1,1,0) |
| 34.09 | 2.6303 | 31.3 | (0,0,2) |
| 35.23 | 2.5472 | 20.8 | (1,0,-1) |
| 39.40 | 2.2872 | 33.3 | (0,2,0) |
| 39.52 | 2.2802 | 17.2 | (0,1,2) |
| 40.54 | 2.2254 | 64.2 | (1,1,-1) |
| 49.17 | 1.8528 | 17.6 | (2,0,1) |
| 53.06 | 1.7259 | 17.7 | (0,2,2) |
| 53.87 | 1.7018 | 12.4 | (1,2,-1) |
| 53.97 | 1.6989 | 3.7 | (1,1,-2) |
| 53.97 | 1.6989 | 3.7 | (1,1,3) |
| 56.18 | 1.6373 | 5.8 | (0,1,3) |
| 56.36 | 1.6325 | 1.3 | (2,1,0) |
| 56.36 | 1.6325 | 1.3 | (2,1,2) |
| 61.19 | 1.5148 | 5.8 | (2,0,-1) |
| 61.19 | 1.5148 | 5.8 | (2,0,3) |
| 64.75 | 1.4397 | 15.3 | (2,2,1) |
| 64.84 | 1.4380 | 3.9 | (2,1,-1) |
| 64.84 | 1.4380 | 3.9 | (2,1,3) |
| 66.95 | 1.3976 | 12.0 | (1,3,0) |
| 67.21 | 1.3928 | 5.5 | (1,0,-3) |
| 67.21 | 1.3928 | 5.5 | (1,0,4) |
Energy Properties
Formation Energy/atom
-0.95202
eV/atom
Energy/atom
-28.04547
eV/atom
Energy above Hull
0.0014
eV/atom
Uncorrected Energy
-28.0455
eV/atom
Volume/atom
22.29
ų
c/a Ratio
1.5051
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
81.785
GPa
GVRH
28.181
GPa
Young's Modulus E
75.833
GPa
Poisson Ratio ν
0.345
Pugh Ratio K/G
2.902
Vickers Hardness Est.
1.054
GPa
Ductility
Brittle
Anisotropy
0.402
Lame λ
62.998
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tb · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.623
Family
Binary Alloy
Matrix Element
Tb · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4020
Homogeneous Poisson ν
0.3450
Debye Temperature
272.1
K
Sound Velocity
1,897.5
m/s
Homogeneity
0.3450
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999124
Reference Citation
The crystal structure and related material properties of TbPd were obtained from the Materials Project database (MP-ID: mp-999124, 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_TbPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70567459
_cell_length_b 4.57436458
_cell_length_c 5.57732986
_cell_angle_alpha 90.00000000
_cell_angle_beta 70.59712403
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbPd
_chemical_formula_sum 'Tb2 Pd2'
_cell_volume 89.17249796
_cell_formula_units_Z 2
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 0.13683371 0.75000000 0.72633358 1.0
Tb Tb1 1 0.86316629 0.25000000 0.27366642 1.0
Pd Pd2 1 0.41384740 0.75000000 0.17230420 1.0
Pd Pd3 1 0.58615260 0.25000000 0.82769580 1.0
