TbTe2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1019324 · Space group: P4/nmm (#129)
Basic Information
Formula
TbTe2
MP-ID
mp-1019324
Elements
2
Sites
6
Density
7.7951
g/cm³
Volume
176.44
ų
Cell a
4.4473
Å
Cell b
4.4473
Å
Cell c
8.9206
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 9.92 | 8.9206 | 2.0 | (0,0,1) |
| 19.91 | 4.4603 | 1.3 | (0,0,2) |
| 22.34 | 3.9801 | 17.2 | (1,0,1) |
| 28.34 | 3.1493 | 15.2 | (1,0,2) |
| 28.38 | 3.1447 | 27.0 | (1,1,0) |
| 30.05 | 2.9736 | 36.3 | (0,0,3) |
| 30.13 | 2.9658 | 99.6 | (1,1,1) |
| 34.91 | 2.5702 | 100.0 | (1,1,2) |
| 36.34 | 2.4719 | 58.7 | (1,0,3) |
| 40.45 | 2.2302 | 3.9 | (0,0,4) |
| 40.57 | 2.2237 | 68.5 | (2,0,0) |
| 45.50 | 1.9936 | 2.9 | (1,0,4) |
| 46.80 | 1.9412 | 5.1 | (2,1,1) |
| 50.15 | 1.8191 | 5.4 | (1,1,4) |
| 50.23 | 1.8165 | 6.1 | (2,1,2) |
| 51.20 | 1.7841 | 1.2 | (0,0,5) |
| 51.30 | 1.7808 | 32.4 | (2,0,3) |
| 55.49 | 1.6559 | 16.3 | (1,0,5) |
| 55.59 | 1.6532 | 34.4 | (2,1,3) |
| 58.63 | 1.5747 | 5.3 | (2,0,4) |
| 58.72 | 1.5724 | 23.0 | (2,2,0) |
| 59.58 | 1.5518 | 5.5 | (1,1,5) |
| 62.58 | 1.4844 | 2.2 | (2,1,4) |
| 63.63 | 1.4624 | 1.0 | (3,0,1) |
Energy Properties
Formation Energy/atom
-1.36380
eV/atom
Energy/atom
-28.71743
eV/atom
Energy above Hull
0.0538
eV/atom
Uncorrected Energy
-28.7174
eV/atom
Volume/atom
29.41
ų
c/a Ratio
2.0059
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
58.632
GPa
GVRH
23.413
GPa
Young's Modulus E
61.988
GPa
Poisson Ratio ν
0.324
Pugh Ratio K/G
2.504
Vickers Hardness Est.
1.322
GPa
Ductility
Brittle
Anisotropy
0.676
Lame λ
43.023
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
0.587
Family
Binary Alloy
Matrix Element
Te · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6760
Homogeneous Poisson ν
0.3240
Homogeneity
0.3240
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1019324
Reference Citation
The crystal structure and related material properties of TbTe2 were obtained from the Materials Project database (MP-ID: mp-1019324, 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_TbTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44730960
_cell_length_b 4.44730960
_cell_length_c 8.92064022
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TbTe2
_chemical_formula_sum 'Tb2 Te4'
_cell_volume 176.43744172
_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 0.75000000 0.75000000 0.72905239 1.0
Tb Tb1 1 0.25000000 0.25000000 0.27094761 1.0
Te Te2 1 0.75000000 0.25000000 -0.00000000 1.0
Te Te3 1 0.25000000 0.75000000 -0.00000000 1.0
Te Te4 1 0.75000000 0.75000000 0.37171246 1.0
Te Te5 1 0.25000000 0.25000000 0.62828754 1.0
