CoTe2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9945 · Space group: Pnnm (#58)

Materials Project API

Basic Information

Formula

CoTe2

MP-ID

mp-9945

Elements

Sites

Density

7.7926

g/cm³

Volume

133.88

Å³

Cell a

3.9361

Cell b

5.3221

Cell c

6.3909

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnnm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
21.73	4.0898	4.0	(0,1,-1)
21.73	4.0896	4.0	(0,1,1)
26.60	3.3515	48.6	(1,0,1)
27.92	3.1955	2.3	(0,0,2)
28.20	3.1647	48.7	(1,1,0)
31.55	2.8360	100.0	(1,1,-1)
31.55	2.8360	100.0	(1,1,1)
32.69	2.7396	80.1	(0,1,-2)
32.69	2.7395	80.1	(0,1,2)
33.68	2.6611	35.5	(0,2,0)
36.58	2.4566	4.8	(0,2,-1)
36.58	2.4566	4.8	(0,2,1)
40.10	2.2486	5.0	(1,1,-2)
40.10	2.2485	5.0	(1,1,2)
43.42	2.0840	57.2	(1,2,-1)
43.42	2.0840	57.2	(1,2,1)
44.30	2.0449	4.6	(0,2,-2)
44.30	2.0448	4.6	(0,2,2)
45.88	1.9778	5.3	(0,1,-3)
45.88	1.9777	5.3	(0,1,3)
46.12	1.9681	49.9	(2,0,0)
48.60	1.8735	62.6	(1,0,3)
50.28	1.8146	6.7	(1,2,-2)
50.28	1.8146	6.7	(1,2,2)

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Energy Properties

Formation Energy/atom

-0.18488

eV/atom

Energy/atom

-21.54111

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.5411

eV/atom

Volume/atom

22.31

Å³

c/a Ratio

1.6237

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9999

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.014940

μB/Å³

Elastic Properties

K_VRH

74.058

GPa

G_VRH

44.805

GPa

Young's Modulus E

111.857

GPa

Poisson Ratio ν

0.248

Pugh Ratio K/G

1.653

Vickers Hardness Est.

7.273

GPa

Ductility

Ductile

Anisotropy

0.469

Lame λ

44.188

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

Score

0.703

Family

Binary Alloy

Matrix Element

Te · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4690

Homogeneous Poisson ν

0.2480

Debye Temperature

491.5

Sound Velocity

2,661.5

m/s

Homogeneity

0.2480

Related Tasks

Related computation task IDs (5)

aaadmvwm aaadrewa aaaekvyt aaaeurlg aaafjgtq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9945

Reference Citation

The crystal structure and related material properties of CoTe2 were obtained from the Materials Project database (MP-ID: mp-9945, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_CoTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93612091
_cell_length_b   5.32209599
_cell_length_c   6.39089202
_cell_angle_alpha   90.00188665
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTe2
_chemical_formula_sum   'Co2 Te4'
_cell_volume   133.87904743
_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
  Co  Co0  1  -0.00000000  -0.00000000  0.00000000  1.0
  Co  Co1  1  0.50000000  0.50000000  0.50000000  1.0
  Te  Te2  1  -0.00000000  0.21977010  0.36554086  1.0
  Te  Te3  1  -0.00000000  0.78022990  0.63445914  1.0
  Te  Te4  1  0.50000000  0.71976342  0.13448736  1.0
  Te  Te5  1  0.50000000  0.28023658  0.86551264  1.0

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