Navigation

HEAS Data Platform · Materials Science Database

Sb2Te3

Elasticity Data ELA

MP-ID: mp-1201 · Space group: R-3m (#166)

Basic Information

Formula
Sb2Te3
MP-ID
mp-1201
Elements
2
Sites
5
Density
6.1205
g/cm³
Volume
169.92
ų
Cell a
10.8800
Å
Cell b
10.8800
Å
Cell c
10.8800
Å
α Angle
22.82
°
β Angle
22.82
°
γ Angle
22.82
°
Space Group
R-3m
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal R
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
8.35 10.5925 8.5 (1,1,1)
16.74 5.2962 5.8 (2,2,2)
25.22 3.5308 2.5 (3,3,3)
26.41 3.3744 1.6 (1,2,1)
27.75 3.2152 100.0 (2,2,1)
31.04 2.8807 1.8 (3,2,2)
32.95 2.7181 3.4 (3,2,3)
32.95 2.7181 6.7 (3,3,2)
37.18 2.4182 10.2 (3,3,4)
37.18 2.4182 20.4 (4,3,3)
39.46 2.2833 3.6 (4,3,4)
39.46 2.2833 1.8 (4,4,3)
41.98 2.1520 24.6 (1,-1,0)
41.98 2.1520 12.3 (1,0,-1)
42.68 2.1185 3.4 (5,5,5)
42.88 2.1089 1.0 (2,1,0)
44.31 2.0441 4.2 (4,4,5)
44.31 2.0441 8.4 (5,4,4)
45.50 1.9937 1.8 (3,1,2)
49.61 1.8376 1.6 (4,2,3)
51.07 1.7884 6.1 (1,1,3)
51.07 1.7884 12.1 (3,1,1)
51.78 1.7654 4.5 (6,6,6)
52.19 1.7528 1.0 (5,5,6)
Get direct link

Energy Properties

Formation Energy/atom
-0.38320
eV/atom
Energy/atom
-3.92078
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.6647
eV/atom
Volume/atom
33.98
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Non-metal
Band Gap
0.161
eV
Direct Gap
Yes
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
19.094
GPa
GVRH
13.921
GPa
Young's Modulus E
33.598
GPa
Poisson Ratio ν
0.207
Pugh Ratio K/G
1.372
Vickers Hardness Est.
3.449
GPa
Ductility
Ductile
Anisotropy
3.580
Lame λ
9.813
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
3.5800
Homogeneous Poisson ν
0.2070
Debye Temperature
209.8
K
Sound Velocity
1,666.2
m/s
Homogeneity
0.2070

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1201
Reference Citation

The crystal structure and related material properties of Sb2Te3 were obtained from the Materials Project database (MP-ID: mp-1201, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Sb2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88002855
_cell_length_b   10.88002856
_cell_length_c   10.88002944
_cell_angle_alpha   22.81548683
_cell_angle_beta   22.81548483
_cell_angle_gamma   22.81548782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2Te3
_chemical_formula_sum   'Sb2 Te3'
_cell_volume   169.92445719
_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
  Sb  Sb0  1  0.60420277  0.60420277  0.60420277  1.0
  Sb  Sb1  1  0.39579723  0.39579723  0.39579723  1.0
  Te  Te2  1  0.78254621  0.78254621  0.78254621  1.0
  Te  Te3  1  0.21745379  0.21745379  0.21745379  1.0
  Te  Te4  1  0.00000000  -0.00000000  0.00000000  1.0
Get direct link