Te2Pd
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-782 · Space group: P-3m1 (#164)
Basic Information
Formula
Te2Pd
MP-ID
mp-782
Elements
2
Sites
3
Density
7.9985
g/cm³
Volume
75.08
ų
Cell a
4.0701
Å
Cell b
4.0701
Å
Cell c
5.2331
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
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 |
|---|---|---|---|
| 16.94 | 5.2331 | 10.1 | (0,0,0,1) |
| 30.58 | 2.9235 | 100.0 | (1,0,-1,1) |
| 34.27 | 2.6165 | 3.9 | (0,0,0,2) |
| 43.05 | 2.1010 | 35.4 | (1,0,-1,2) |
| 44.52 | 2.0350 | 25.0 | (1,1,-2,0) |
| 44.52 | 2.0350 | 12.5 | (2,-1,-1,0) |
| 47.97 | 1.8967 | 3.9 | (2,-1,-1,1) |
| 52.46 | 1.7444 | 1.5 | (0,0,0,3) |
| 54.98 | 1.6702 | 6.3 | (0,2,-2,1) |
| 54.98 | 1.6702 | 12.5 | (2,0,-2,1) |
| 57.36 | 1.6064 | 3.5 | (1,1,-2,2) |
| 57.36 | 1.6064 | 1.8 | (2,-1,-1,2) |
| 59.09 | 1.5634 | 12.9 | (1,0,-1,3) |
| 63.66 | 1.4617 | 10.9 | (2,0,-2,2) |
| 71.20 | 1.3244 | 3.6 | (2,-1,-1,3) |
| 72.21 | 1.3083 | 2.8 | (0,0,0,4) |
| 73.33 | 1.2911 | 10.5 | (2,1,-3,1) |
| 73.33 | 1.2911 | 5.2 | (3,-1,-2,1) |
| 76.90 | 1.2398 | 5.9 | (2,0,-2,3) |
| 80.99 | 1.1872 | 3.6 | (1,2,-3,2) |
| 80.99 | 1.1872 | 3.6 | (2,1,-3,2) |
| 80.99 | 1.1872 | 3.6 | (3,-1,-2,2) |
| 82.01 | 1.1749 | 2.1 | (0,3,-3,0) |
| 82.01 | 1.1749 | 4.1 | (3,0,-3,0) |
Energy Properties
Formation Energy/atom
-0.34446
eV/atom
Energy/atom
-24.94276
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.9428
eV/atom
Volume/atom
25.03
ų
c/a Ratio
1.2857
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
53.053
GPa
GVRH
17.970
GPa
Young's Modulus E
48.441
GPa
Poisson Ratio ν
0.348
Pugh Ratio K/G
2.952
Vickers Hardness Est.
0.054
GPa
Ductility
Brittle
Anisotropy
1.777
Lame λ
41.073
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.703
Family
Binary Alloy
Matrix Element
Te · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.7770
Homogeneous Poisson ν
0.3480
Debye Temperature
257.7
K
Sound Velocity
1,684.7
m/s
Homogeneity
0.3480
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-782
Reference Citation
The crystal structure and related material properties of Te2Pd were obtained from the Materials Project database (MP-ID: mp-782, 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_Te2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07008754
_cell_length_b 4.07008814
_cell_length_c 5.23308461
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999511
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te2Pd
_chemical_formula_sum 'Te2 Pd1'
_cell_volume 75.07510949
_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
Te Te0 1 0.33333300 0.66666700 0.26109091 1.0
Te Te1 1 0.66666700 0.33333300 0.73890909 1.0
Pd Pd2 1 -0.00000000 0.00000000 -0.00000000 1.0
