SmTe2
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-1019266 · Space group: P4/nmm (#129)
Basic Information
Formula
SmTe2
MP-ID
mp-1019266
Elements
2
Sites
6
Density
7.4077
g/cm³
Volume
181.82
ų
Cell a
4.4778
Å
Cell b
4.4778
Å
Cell c
9.0684
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 |
|---|---|---|---|
| 9.75 | 9.0684 | 2.2 | (0,0,1) |
| 22.14 | 4.0150 | 13.5 | (1,0,1) |
| 28.01 | 3.1860 | 15.9 | (1,0,2) |
| 28.18 | 3.1663 | 24.7 | (1,1,0) |
| 29.55 | 3.0228 | 37.5 | (0,0,3) |
| 29.89 | 2.9893 | 100.0 | (1,1,1) |
| 34.55 | 2.5960 | 97.2 | (1,1,2) |
| 35.84 | 2.5054 | 55.6 | (1,0,3) |
| 39.76 | 2.2671 | 3.7 | (0,0,4) |
| 40.28 | 2.2389 | 66.6 | (2,0,0) |
| 44.81 | 2.0226 | 2.6 | (1,0,4) |
| 46.44 | 1.9554 | 3.9 | (2,1,1) |
| 49.45 | 1.8433 | 6.5 | (1,1,4) |
| 49.78 | 1.8318 | 6.3 | (2,1,2) |
| 50.31 | 1.8137 | 1.2 | (0,0,5) |
| 50.74 | 1.7991 | 33.0 | (2,0,3) |
| 54.59 | 1.6810 | 16.0 | (1,0,5) |
| 55.01 | 1.6694 | 32.4 | (2,1,3) |
| 57.89 | 1.5930 | 4.9 | (2,0,4) |
| 58.28 | 1.5831 | 22.4 | (2,2,0) |
| 58.66 | 1.5738 | 5.6 | (1,1,5) |
| 61.82 | 1.5009 | 2.0 | (2,1,4) |
| 65.14 | 1.4320 | 10.8 | (1,0,6) |
| 65.88 | 1.4177 | 1.3 | (3,0,2) |
Energy Properties
Formation Energy/atom
-1.43088
eV/atom
Energy/atom
-28.28667
eV/atom
Energy above Hull
0.0106
eV/atom
Uncorrected Energy
-28.2867
eV/atom
Volume/atom
30.30
ų
c/a Ratio
2.0252
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
56.908
GPa
GVRH
24.397
GPa
Young's Modulus E
64.040
GPa
Poisson Ratio ν
0.312
Pugh Ratio K/G
2.333
Vickers Hardness Est.
1.811
GPa
Ductility
Brittle
Anisotropy
0.421
Lame λ
40.643
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
0.616
Family
Binary Alloy
Matrix Element
Te · 0.667
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4210
Homogeneous Poisson ν
0.3120
Homogeneity
0.3120
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1019266
Reference Citation
The crystal structure and related material properties of SmTe2 were obtained from the Materials Project database (MP-ID: mp-1019266, 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_SmTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47774812
_cell_length_b 4.47774812
_cell_length_c 9.06837502
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmTe2
_chemical_formula_sum 'Sm2 Te4'
_cell_volume 181.82298879
_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
Sm Sm0 1 0.75000000 0.75000000 0.72849029 1.0
Sm Sm1 1 0.25000000 0.25000000 0.27150971 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 0.37092763 1.0
Te Te5 1 0.25000000 0.25000000 0.62907237 1.0
