Basic Information
Formula
CoTe
MP-ID
mp-788
Elements
2
Sites
4
Density
8.8260
g/cm³
Volume
70.19
ų
Cell a
3.9092
Å
Cell b
3.9092
Å
Cell c
5.3035
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 31.35 | 2.8536 | 100.0 | (1,0,-1,1) |
| 33.80 | 2.6518 | 4.4 | (0,0,0,2) |
| 43.34 | 2.0876 | 36.0 | (1,0,-1,2) |
| 43.34 | 2.0876 | 18.0 | (1,-1,0,2) |
| 46.46 | 1.9546 | 16.5 | (1,1,-2,0) |
| 46.46 | 1.9546 | 33.0 | (2,-1,-1,0) |
| 57.12 | 1.6126 | 11.9 | (2,0,-2,1) |
| 57.12 | 1.6126 | 6.0 | (2,-2,0,1) |
| 58.68 | 1.5734 | 2.0 | (1,1,-2,2) |
| 58.68 | 1.5734 | 3.9 | (2,-1,-1,2) |
| 58.94 | 1.5671 | 10.8 | (1,0,-1,3) |
| 58.94 | 1.5671 | 5.4 | (1,-1,0,3) |
| 65.41 | 1.4268 | 10.0 | (2,0,-2,2) |
| 65.41 | 1.4268 | 5.0 | (2,-2,0,2) |
| 71.10 | 1.3259 | 4.4 | (0,0,0,4) |
| 76.60 | 1.2439 | 5.0 | (2,1,-3,1) |
| 76.60 | 1.2439 | 9.9 | (3,-1,-2,1) |
| 78.18 | 1.2226 | 4.7 | (2,0,-2,3) |
| 78.18 | 1.2226 | 2.4 | (2,-2,0,3) |
| 83.97 | 1.1524 | 4.9 | (2,1,-3,2) |
| 83.97 | 1.1524 | 4.9 | (3,-1,-2,2) |
| 83.97 | 1.1524 | 4.9 | (3,-2,-1,2) |
| 86.18 | 1.1285 | 5.3 | (3,0,-3,0) |
| 86.18 | 1.1285 | 2.6 | (3,-3,0,0) |
Energy Properties
Formation Energy/atom
-0.04828
eV/atom
Energy/atom
-19.37401
eV/atom
Energy above Hull
0.0904
eV/atom
Uncorrected Energy
-5.1904
eV/atom
Volume/atom
17.55
ų
c/a Ratio
1.3567
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0061
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000090
μB/ų
Elastic Properties
KVRH
113.699
GPa
GVRH
50.317
GPa
Young's Modulus E
131.546
GPa
Poisson Ratio ν
0.307
Pugh Ratio K/G
2.260
Vickers Hardness Est.
4.626
GPa
Ductility
Brittle
Anisotropy
0.102
Lame λ
80.154
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1020
Homogeneous Poisson ν
0.3070
Debye Temperature
448.9
K
Sound Velocity
2,669.4
m/s
Homogeneity
0.3070
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-788
Reference Citation
The crystal structure and related material properties of CoTe were obtained from the Materials Project database (MP-ID: mp-788, 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_CoTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90921122
_cell_length_b 3.90921122
_cell_length_c 5.30351800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998680
_symmetry_Int_Tables_number 1
_chemical_formula_structural CoTe
_chemical_formula_sum 'Co2 Te2'
_cell_volume 70.18963917
_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 0.00000000 0.00000000 0.50000000 1.0
Te Te2 1 0.33333300 0.66666700 0.25000000 1.0
Te Te3 1 0.66666700 0.33333300 0.75000000 1.0
