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TePb

Elasticity Data ELA

MP-ID: mp-19717 · Space group: Fm-3m (#225)

Basic Information

Formula
TePb
MP-ID
mp-19717
Elements
2
Sites
2
Density
7.9434
g/cm³
Volume
69.99
ų
Cell a
4.6258
Å
Cell b
4.6258
Å
Cell c
4.6258
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic F
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
23.56 3.7769 8.0 (0,1,0)
23.56 3.7769 2.7 (1,0,0)
27.26 3.2709 100.0 (1,1,0)
38.94 2.3129 39.3 (1,2,1)
38.94 2.3129 39.3 (1,0,-1)
46.01 1.9724 4.2 (2,1,0)
46.01 1.9724 2.1 (1,-1,1)
48.19 1.8885 14.3 (0,0,2)
48.19 1.8885 14.3 (2,0,0)
56.25 1.6355 13.6 (2,2,0)
61.82 1.5008 1.9 (1,3,1)
63.61 1.4628 12.6 (1,2,-1)
63.61 1.4628 18.9 (2,1,-1)
63.61 1.4628 6.3 (2,-1,1)
70.52 1.3353 9.3 (1,1,-2)
70.52 1.3353 14.0 (3,1,0)
70.52 1.3353 4.7 (2,-1,-1)
75.52 1.2590 1.1 (3,2,0)
83.62 1.1564 4.5 (2,4,2)
83.62 1.1564 3.0 (2,0,-2)
83.62 1.1564 1.5 (2,-2,0)
88.40 1.1058 1.2 (2,1,-2)
89.99 1.0903 11.8 (1,0,-3)
89.99 1.0903 2.6 (3,0,3)
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Energy Properties

Formation Energy/atom
-0.50383
eV/atom
Energy/atom
-41.35501
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-41.3550
eV/atom
Volume/atom
34.99
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.806
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
38.461
GPa
GVRH
24.006
GPa
Young's Modulus E
59.615
GPa
Poisson Ratio ν
0.242
Pugh Ratio K/G
1.602
Vickers Hardness Est.
4.396
GPa
Ductility
Ductile
Anisotropy
2.127
Lame λ
22.457
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
2.1270
Homogeneous Poisson ν
0.2420
Debye Temperature
205.9
K
Sound Velocity
1,928.1
m/s
Homogeneity
0.2420

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-19717
Reference Citation

The crystal structure and related material properties of TePb were obtained from the Materials Project database (MP-ID: mp-19717, 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_TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62574650
_cell_length_b   4.62574692
_cell_length_c   4.62574704
_cell_angle_alpha   59.99999917
_cell_angle_beta   59.99999617
_cell_angle_gamma   59.99998750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePb
_chemical_formula_sum   'Te1 Pb1'
_cell_volume   69.98911846
_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
  Te  Te0  1  -0.00000000  -0.00000000  0.00000000  1.0
  Pb  Pb1  1  0.50000000  0.50000000  0.50000000  1.0
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