Mn(AlTe2)2
Elasticity Data ELAMP-ID: mp-1025315 · Space group: I-42m (#121)
Basic Information
Formula
Mn(AlTe2)2
MP-ID
mp-1025315
Elements
3
Sites
7
Density
4.5965
g/cm³
Volume
223.73
ų
Cell a
5.9576
Å
Cell b
5.9576
Å
Cell c
7.5822
Å
α Angle
113.15
°
β Angle
113.15
°
γ Angle
89.97
°
Space Group
I-42m
Point Group
-42m
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 |
|---|---|---|---|
| 25.43 | 3.5031 | 100.0 | (1,1,-2) |
| 25.43 | 3.5030 | 99.9 | (1,1,0) |
| 25.43 | 3.5019 | 100.0 | (1,-1,1) |
| 25.43 | 3.5019 | 100.0 | (1,-1,-1) |
| 25.95 | 3.4340 | 3.2 | (0,1,-2) |
| 25.95 | 3.4340 | 3.2 | (1,0,-2) |
| 25.95 | 3.4340 | 3.3 | (1,0,1) |
| 25.95 | 3.4339 | 3.3 | (0,1,1) |
| 28.32 | 3.1517 | 44.1 | (0,0,2) |
| 30.00 | 2.9788 | 36.0 | (2,0,-1) |
| 30.00 | 2.9788 | 36.0 | (0,2,-1) |
| 34.40 | 2.6072 | 2.5 | (2,1,-2) |
| 34.40 | 2.6072 | 2.5 | (1,2,-2) |
| 34.40 | 2.6072 | 2.5 | (2,1,-1) |
| 34.40 | 2.6072 | 2.5 | (1,2,-1) |
| 34.41 | 2.6063 | 2.5 | (1,-2,1) |
| 34.41 | 2.6063 | 2.5 | (2,-1,-1) |
| 34.41 | 2.6063 | 2.5 | (2,-1,0) |
| 34.41 | 2.6063 | 2.5 | (1,-2,0) |
| 38.78 | 2.3220 | 1.1 | (0,1,-3) |
| 38.78 | 2.3220 | 1.1 | (1,0,-3) |
| 38.78 | 2.3220 | 1.2 | (1,0,2) |
| 38.78 | 2.3220 | 1.2 | (0,1,2) |
| 41.72 | 2.1649 | 36.8 | (0,2,-3) |
Energy Properties
Formation Energy/atom
-0.59342
eV/atom
Energy/atom
-4.76862
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.1329
eV/atom
Volume/atom
31.96
ų
c/a Ratio
1.2727
Electronic Properties
Metallic
Non-metal
Band Gap
0.325
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
5.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.022350
μB/ų
Elastic Properties
KVRH
27.918
GPa
GVRH
15.380
GPa
Young's Modulus E
38.982
GPa
Poisson Ratio ν
0.267
Pugh Ratio K/G
1.815
Vickers Hardness Est.
1.926
GPa
Ductility
Brittle
Anisotropy
0.993
Lame λ
17.665
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.9930
Homogeneous Poisson ν
0.2670
Debye Temperature
340.7
K
Sound Velocity
2,034.9
m/s
Homogeneity
0.2670
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025315
Reference Citation
The crystal structure and related material properties of Mn(AlTe2)2 were obtained from the Materials Project database (MP-ID: mp-1025315, 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_Mn(AlTe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95763115
_cell_length_b 5.95760539
_cell_length_c 7.58223187
_cell_angle_alpha 113.14596454
_cell_angle_beta 113.14537633
_cell_angle_gamma 89.97301501
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn(AlTe2)2
_chemical_formula_sum 'Mn1 Al2 Te4'
_cell_volume 223.73012808
_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
Mn Mn0 1 0.00015059 0.00014959 0.00031238 1.0
Al Al1 1 0.24999452 0.75009621 0.49998488 1.0
Al Al2 1 0.75009621 0.24999452 0.49998488 1.0
Te Te3 1 0.39020308 0.39020408 0.24679016 1.0
Te Te4 1 0.85626713 0.85626713 0.24655671 1.0
Te Te5 1 0.14336732 0.60992114 0.75318550 1.0
Te Te6 1 0.60992114 0.14336732 0.75318550 1.0
