Basic Information
Formula
CrTe
MP-ID
mp-1009079
Elements
2
Sites
2
Density
6.3710
g/cm³
Volume
46.81
ų
Cell a
4.0453
Å
Cell b
4.0453
Å
Cell c
4.0453
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
cF
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.99 | 3.3030 | 29.2 | (1,1,1) |
| 31.27 | 2.8605 | 100.0 | (1,1,0) |
| 44.81 | 2.0227 | 71.8 | (2,1,1) |
| 53.09 | 1.7249 | 14.8 | (2,2,1) |
| 55.65 | 1.6515 | 24.6 | (2,2,2) |
| 65.23 | 1.4302 | 11.2 | (2,2,0) |
| 71.94 | 1.3125 | 6.3 | (3,2,2) |
| 74.12 | 1.2792 | 30.3 | (3,2,1) |
| 82.62 | 1.1678 | 22.6 | (3,3,2) |
| 88.89 | 1.1010 | 5.2 | (3,3,3) |
Energy Properties
Formation Energy/atom
-0.21044
eV/atom
Energy/atom
-6.60861
eV/atom
Energy above Hull
0.1775
eV/atom
Uncorrected Energy
-6.3976
eV/atom
Volume/atom
23.41
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.0000
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.085450
μB/ų
Elastic Properties
KVRH
60.543
GPa
GVRH
29.155
GPa
Young's Modulus E
75.367
GPa
Poisson Ratio ν
0.293
Pugh Ratio K/G
2.077
Vickers Hardness Est.
3.118
GPa
Ductility
Brittle
Anisotropy
1.369
Lame λ
41.106
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 0.500
Element Family
3d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.3690
Homogeneous Poisson ν
0.2930
Debye Temperature
375.5
K
Sound Velocity
2,387.2
m/s
Homogeneity
0.2930
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009079
Reference Citation
The crystal structure and related material properties of CrTe were obtained from the Materials Project database (MP-ID: mp-1009079, 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_CrTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04530840
_cell_length_b 4.04530840
_cell_length_c 4.04530840
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrTe
_chemical_formula_sum 'Cr1 Te1'
_cell_volume 46.81013679
_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
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1.0
Te Te1 1 0.50000000 0.50000000 0.50000000 1.0
