AlTc2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1018166 · Space group: I4/mmm (#139)
Basic Information
Formula
AlTc2
MP-ID
mp-1018166
Elements
2
Sites
3
Density
8.8614
g/cm³
Volume
41.78
ų
Cell a
2.9751
Å
Cell b
2.9751
Å
Cell c
5.1684
Å
α Angle
106.73
°
β Angle
106.73
°
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 |
|---|---|---|---|
| 18.80 | 4.7209 | 49.3 | (0,0,1) |
| 31.53 | 2.8375 | 20.7 | (1,0,-1) |
| 31.53 | 2.8375 | 20.7 | (1,0,0) |
| 38.12 | 2.3605 | 4.4 | (0,0,2) |
| 41.78 | 2.1620 | 100.0 | (1,0,-2) |
| 41.78 | 2.1620 | 100.0 | (1,0,1) |
| 43.00 | 2.1037 | 92.3 | (1,-1,0) |
| 47.31 | 1.9215 | 4.4 | (1,1,-2) |
| 47.31 | 1.9215 | 8.7 | (1,-1,1) |
| 47.31 | 1.9215 | 4.4 | (1,1,0) |
| 57.83 | 1.5943 | 6.0 | (1,0,-3) |
| 57.83 | 1.5943 | 6.0 | (1,0,2) |
| 58.67 | 1.5736 | 17.8 | (0,0,3) |
| 58.80 | 1.5705 | 1.2 | (1,1,-3) |
| 58.80 | 1.5705 | 2.4 | (1,-1,2) |
| 58.80 | 1.5705 | 1.2 | (1,1,1) |
| 62.43 | 1.4875 | 29.7 | (2,0,-1) |
| 65.83 | 1.4188 | 3.1 | (2,0,-2) |
| 65.83 | 1.4188 | 3.1 | (2,0,0) |
| 71.63 | 1.3175 | 5.5 | (2,1,-2) |
| 71.63 | 1.3175 | 1.8 | (2,1,-1) |
| 75.44 | 1.2601 | 8.3 | (1,1,-4) |
| 75.44 | 1.2601 | 16.6 | (1,-1,3) |
| 75.44 | 1.2601 | 8.3 | (1,1,2) |
Energy Properties
Formation Energy/atom
-0.46761
eV/atom
Energy/atom
-20.02142
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-20.0214
eV/atom
Volume/atom
13.93
ų
c/a Ratio
1.7373
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
224.534
GPa
GVRH
119.613
GPa
Young's Modulus E
304.728
GPa
Poisson Ratio ν
0.274
Pugh Ratio K/G
1.877
Vickers Hardness Est.
12.723
GPa
Ductility
Brittle
Anisotropy
0.943
Lame λ
144.792
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tc · 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
Tc · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.9430
Homogeneous Poisson ν
0.2740
Debye Temperature
1,023.1
K
Sound Velocity
4,090.4
m/s
Homogeneity
0.2740
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018166
Reference Citation
The crystal structure and related material properties of AlTc2 were obtained from the Materials Project database (MP-ID: mp-1018166, 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_AlTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97505352
_cell_length_b 2.97505352
_cell_length_c 5.16843060
_cell_angle_alpha 106.72691541
_cell_angle_beta 106.72691541
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlTc2
_chemical_formula_sum 'Al1 Tc2'
_cell_volume 41.78469763
_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 0.00000000 0.00000000 0.00000000 1.0
Tc Tc1 1 0.66991399 0.66991399 0.33982898 1.0
Tc Tc2 1 0.33008601 0.33008601 0.66017102 1.0
