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K2Te

Elasticity Data ELA

MP-ID: mp-1747 · Space group: Fm-3m (#225)

Basic Information

Formula
K2Te
MP-ID
mp-1747
Elements
2
Sites
3
Density
2.4952
g/cm³
Volume
136.96
ų
Cell a
5.7858
Å
Cell b
5.7858
Å
Cell c
5.7858
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
18.78 4.7241 82.8 (1,0,0)
18.78 4.7241 82.8 (1,1,1)
21.72 4.0912 8.7 (1,1,0)
30.91 2.8929 100.0 (1,-1,0)
30.91 2.8929 100.0 (2,1,1)
36.42 2.4671 23.1 (1,2,0)
36.42 2.4671 69.3 (2,1,0)
38.10 2.3621 2.5 (2,0,0)
44.28 2.0456 35.3 (2,2,0)
48.50 1.8772 13.6 (2,-1,0)
48.50 1.8772 20.3 (3,1,1)
48.50 1.8772 6.8 (2,2,3)
49.84 1.8296 1.8 (2,-1,1)
49.84 1.8296 3.7 (3,2,1)
54.98 1.6702 12.0 (0,3,1)
54.98 1.6702 36.0 (3,1,0)
54.98 1.6702 24.0 (3,2,3)
58.62 1.5747 13.4 (3,0,0)
58.62 1.5747 17.2 (3,2,0)
64.41 1.4465 3.6 (2,-2,0)
64.41 1.4465 14.5 (4,2,2)
64.41 1.4465 3.6 (2,2,4)
67.75 1.3831 9.8 (3,-1,1)
67.75 1.3831 14.7 (4,2,1)
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Energy Properties

Formation Energy/atom
-1.22200
eV/atom
Energy/atom
-13.70659
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.7066
eV/atom
Volume/atom
45.65
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
2.137
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
13.039
GPa
GVRH
7.260
GPa
Young's Modulus E
18.370
GPa
Poisson Ratio ν
0.265
Pugh Ratio K/G
1.796
Vickers Hardness Est.
0.215
GPa
Ductility
Brittle
Anisotropy
0.000
Lame λ
8.199
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 0.667
Element Family
Alkali-AlkEarth
Solute Fraction
0.333
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0000
Homogeneous Poisson ν
0.2650
Homogeneity
0.2650

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1747
Reference Citation

The crystal structure and related material properties of K2Te were obtained from the Materials Project database (MP-ID: mp-1747, 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_K2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78581338
_cell_length_b   5.78581375
_cell_length_c   5.78581246
_cell_angle_alpha   60.00000735
_cell_angle_beta   60.00000524
_cell_angle_gamma   60.00000891
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Te
_chemical_formula_sum   'K2 Te1'
_cell_volume   136.95512711
_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
  K  K0  1  0.25000000  0.25000000  0.25000000  1.0
  K  K1  1  0.75000000  0.75000000  0.75000000  1.0
  Te  Te2  1  -0.00000000  -0.00000000  0.00000000  1.0
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