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KAlTe2

Elasticity Data ELA

MP-ID: mp-10165 · Space group: I4/mcm (#140)

Materials Project API

Basic Information

Formula
KAlTe2
MP-ID
mp-10165
Elements
3
Sites
8
Density
4.0567
g/cm³
Volume
263.02
ų
Cell a
6.9785
Å
Cell b
7.0615
Å
Cell c
7.0615
Å
α Angle
75.87
°
β Angle
60.39
°
γ Angle
60.39
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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)
2θd (Å)Ihkl
14.43 6.1393 9.5 (0,1,0)
20.46 4.3411 2.6 (0,1,1)
25.53 3.4893 13.7 (2,1,1)
26.27 3.3930 100.0 (1,0,2)
26.27 3.3930 14.3 (1,2,0)
29.09 3.0696 9.0 (0,2,0)
29.44 3.0335 2.0 (2,1,2)
29.44 3.0335 6.0 (2,1,0)
32.61 2.7456 18.7 (0,2,1)
32.93 2.7196 14.6 (2,0,2)
32.93 2.7196 14.6 (2,0,0)
41.61 2.1706 1.4 (0,2,2)
41.87 2.1577 4.7 (2,0,3)
41.87 2.1577 7.8 (2,0,-1)
44.26 2.0464 5.4 (0,0,3)
44.26 2.0464 5.4 (0,3,0)
44.97 2.0160 21.9 (1,3,-1)
45.45 1.9955 19.2 (3,1,3)
45.45 1.9955 6.4 (3,2,0)
46.79 1.9414 2.9 (0,1,3)
46.79 1.9414 2.9 (0,3,1)
49.45 1.8431 3.1 (2,-1,3)
49.45 1.8431 9.3 (2,3,3)
51.79 1.7652 4.1 (2,1,4)
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Energy Properties

Formation Energy/atom
-0.95894
eV/atom
Energy/atom
-16.85514
eV/atom
Energy above Hull
0.0047
eV/atom
Uncorrected Energy
-16.8551
eV/atom
Volume/atom
32.88
ų
c/a Ratio
1.0119

Electronic Properties

Metallic
Non-metal
Band Gap
1.706
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
17.465
GPa
GVRH
10.999
GPa
Young's Modulus E
27.272
GPa
Poisson Ratio ν
0.240
Pugh Ratio K/G
1.588
Vickers Hardness Est.
1.734
GPa
Ductility
Ductile
Anisotropy
0.675
Lame λ
10.132
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.6750
Homogeneous Poisson ν
0.2400
Debye Temperature
387.4
K
Sound Velocity
1,825.9
m/s
Homogeneity
0.2400

Related Tasks

Related computation task IDs (6)
aaabnlck aaacmxml aaaeknny aaaenrsg aaaezrtu aaafienz

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-10165
Reference Citation

The crystal structure and related material properties of KAlTe2 were obtained from the Materials Project database (MP-ID: mp-10165, 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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_KAlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97851287
_cell_length_b   7.06153427
_cell_length_c   7.06153603
_cell_angle_alpha   75.86803355
_cell_angle_beta   60.38815333
_cell_angle_gamma   60.38816393
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlTe2
_chemical_formula_sum   'K2 Al2 Te4'
_cell_volume   263.02270514
_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
  K  K0  1  0.75000000  -0.00000000  0.00000000  1.0
  K  K1  1  0.25000000  -0.00000000  0.00000000  1.0
  Al  Al2  1  0.75000000  0.50000000  0.50000000  1.0
  Al  Al3  1  0.25000000  0.50000000  0.50000000  1.0
  Te  Te4  1  0.16261408  0.50000000  0.17477283  1.0
  Te  Te5  1  0.33738592  0.82522717  0.50000000  1.0
  Te  Te6  1  0.66261408  0.17477283  0.50000000  1.0
  Te  Te7  1  0.83738592  0.50000000  0.82522717  1.0
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