Al2Te5
Elasticity Data ELAMP-ID: mp-9254 · Space group: C2/m (#12)
Basic Information
Formula
Al2Te5
MP-ID
mp-9254
Elements
2
Sites
7
Density
4.7821
g/cm³
Volume
240.28
ų
Cell a
4.1891
Å
Cell b
7.3490
Å
Cell c
8.4472
Å
α Angle
80.60
°
β Angle
75.64
°
γ Angle
73.44
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 10.87 | 8.1426 | 3.9 | (0,0,1) |
| 12.63 | 7.0090 | 17.5 | (0,1,0) |
| 15.84 | 5.5952 | 5.7 | (0,1,1) |
| 21.83 | 4.0713 | 16.0 | (0,0,2) |
| 22.97 | 3.8715 | 13.6 | (1,1,0) |
| 24.16 | 3.6837 | 89.5 | (0,1,2) |
| 25.42 | 3.5045 | 29.3 | (0,2,0) |
| 26.39 | 3.3772 | 18.3 | (0,1,-2) |
| 26.67 | 3.3424 | 2.2 | (0,2,1) |
| 28.02 | 3.1841 | 100.0 | (1,0,2) |
| 28.72 | 3.1084 | 11.3 | (0,2,-1) |
| 28.78 | 3.1019 | 77.0 | (1,2,1) |
| 29.51 | 3.0265 | 25.4 | (1,-1,1) |
| 34.09 | 2.6299 | 8.1 | (1,-1,2) |
| 34.09 | 2.6299 | 8.1 | (1,2,-1) |
| 34.22 | 2.6206 | 2.6 | (0,1,3) |
| 34.98 | 2.5652 | 5.2 | (1,1,3) |
| 34.98 | 2.5652 | 5.2 | (1,0,-2) |
| 35.42 | 2.5340 | 3.1 | (0,2,-2) |
| 36.00 | 2.4945 | 1.7 | (1,0,3) |
| 36.00 | 2.4945 | 1.7 | (1,1,-2) |
| 36.68 | 2.4501 | 4.0 | (0,1,-3) |
| 38.53 | 2.3363 | 2.6 | (0,3,0) |
| 38.58 | 2.3337 | 4.1 | (1,3,1) |
Energy Properties
Formation Energy/atom
-0.40194
eV/atom
Energy/atom
-20.48056
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.4806
eV/atom
Volume/atom
34.33
ų
c/a Ratio
2.0165
Electronic Properties
Metallic
Non-metal
Band Gap
1.046
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
5.745
GPa
GVRH
4.370
GPa
Young's Modulus E
10.458
GPa
Poisson Ratio ν
0.197
Pugh Ratio K/G
1.315
Vickers Hardness Est.
0.441
GPa
Ductility
Ductile
Anisotropy
19.961
Lame λ
2.832
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.714
Element Family
Metalloid-Nonmetal
Solute Fraction
0.286
Interstitial Fraction
0.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
19.9610
Homogeneous Poisson ν
0.1970
Debye Temperature
226.1
K
Sound Velocity
1,055.0
m/s
Homogeneity
0.1970
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9254
Reference Citation
The crystal structure and related material properties of Al2Te5 were obtained from the Materials Project database (MP-ID: mp-9254, 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_Al2Te5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18908896
_cell_length_b 7.34896146
_cell_length_c 8.44719670
_cell_angle_alpha 80.60195333
_cell_angle_beta 75.64332004
_cell_angle_gamma 73.44041611
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al2Te5
_chemical_formula_sum 'Al2 Te5'
_cell_volume 240.27632782
_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
Al Al0 1 0.37049554 0.85711592 0.40189401 1.0
Al Al1 1 0.62950446 0.14288408 0.59810599 1.0
Te Te2 1 0.58145482 0.71083772 0.12625265 1.0
Te Te3 1 0.41854518 0.28916228 0.87374735 1.0
Te Te4 1 0.00000000 -0.00000000 -0.00000000 1.0
Te Te5 1 0.18147757 0.23697652 0.40006834 1.0
Te Te6 1 0.81852243 0.76302348 0.59993166 1.0
