K2TeO3

Elasticity Data ELA

MP-ID: mp-8724 · Space group: P-3 (#147)

Materials Project API

Basic Information

Formula

K2TeO3

MP-ID

mp-8724

Elements

Sites

Density

3.4989

g/cm³

Volume

240.90

Å³

Cell a

6.2914

Cell b

6.2914

Cell c

7.0277

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3

Point Group

-3

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
12.60	7.0277	11.2	(0,0,0,1)
16.27	5.4485	19.2	(1,0,-1,0)
20.63	4.3060	76.0	(1,0,-1,1)
25.35	3.5139	1.5	(0,0,0,2)
28.37	3.1457	100.0	(2,-1,-1,0)
30.27	2.9530	35.1	(0,1,-1,2)
30.27	2.9530	70.2	(1,0,-1,2)
31.15	2.8712	10.1	(1,1,-2,1)
31.15	2.8712	5.1	(2,-1,-1,1)
32.88	2.7242	1.8	(0,2,-2,0)
32.88	2.7242	3.5	(2,0,-2,0)
35.34	2.5401	1.6	(0,2,-2,1)
35.34	2.5401	3.2	(2,0,-2,1)
38.41	2.3437	2.8	(2,-1,-1,2)
38.43	2.3426	2.1	(0,0,0,3)
41.96	2.1530	47.4	(2,0,-2,2)
41.98	2.1521	3.5	(1,0,-1,3)
43.97	2.0593	1.7	(2,1,-3,0)
45.92	1.9762	6.0	(2,1,-3,1)
45.92	1.9762	5.6	(3,-1,-2,1)
48.45	1.8788	10.8	(2,-1,-1,3)
50.24	1.8162	8.4	(0,3,-3,0)
50.24	1.8162	16.9	(3,0,-3,0)
51.43	1.7767	30.1	(2,1,-3,2)

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Energy Properties

Formation Energy/atom

-1.86097

eV/atom

Energy/atom

-5.23596

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-10.8893

eV/atom

Volume/atom

20.07

Å³

c/a Ratio

1.1171

Electronic Properties

Metallic

Non-metal

Band Gap

3.518

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

23.313

GPa

G_VRH

14.440

GPa

Young's Modulus E

35.907

GPa

Poisson Ratio ν

0.243

Pugh Ratio K/G

1.614

Vickers Hardness Est.

2.445

GPa

Ductility

Ductile

Anisotropy

0.312

Lame λ

13.686

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3120

Homogeneous Poisson ν

0.2430

Homogeneity

0.2430

Related Tasks

Related computation task IDs (6)

aaabneyw aaadjpky aaadsljh aaaeknwz aaaeudmt aaafyini

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8724

Reference Citation

The crystal structure and related material properties of K2TeO3 were obtained from the Materials Project database (MP-ID: mp-8724, 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_K2TeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29135701
_cell_length_b   6.29135811
_cell_length_c   7.02773718
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TeO3
_chemical_formula_sum   'K4 Te2 O6'
_cell_volume   240.89895855
_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
  K  K0  1  0.00000000  0.00000000  -0.00000000  1.0
  K  K1  1  0.33333300  0.66666700  0.62217139  1.0
  K  K2  1  0.00000000  0.00000000  0.50000000  1.0
  K  K3  1  0.66666700  0.33333300  0.37782861  1.0
  Te  Te4  1  0.66666700  0.33333300  0.85856473  1.0
  Te  Te5  1  0.33333300  0.66666700  0.14143527  1.0
  O  O6  1  0.89460576  0.27411053  0.73634741  1.0
  O  O7  1  0.37950478  0.10539424  0.73634741  1.0
  O  O8  1  0.72588947  0.62049522  0.73634741  1.0
  O  O9  1  0.10539424  0.72588947  0.26365259  1.0
  O  O10  1  0.27411053  0.37950478  0.26365259  1.0
  O  O11  1  0.62049522  0.89460576  0.26365259  1.0

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