Basic Information
Formula
Cr2CoTe4
MP-ID
mp-1025239
Elements
3
Sites
7
Density
7.0429
g/cm³
Volume
158.75
ų
Cell a
6.9489
Å
Cell b
6.9489
Å
Cell c
6.8840
Å
α Angle
61.19
°
β Angle
61.19
°
γ Angle
33.55
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 14.89 | 5.9486 | 3.6 | (0,0,1) |
| 15.11 | 5.8639 | 5.5 | (1,1,1) |
| 23.49 | 3.7874 | 4.2 | (1,0,0) |
| 25.71 | 3.4657 | 4.8 | (1,0,1) |
| 26.81 | 3.3257 | 1.5 | (2,2,1) |
| 30.00 | 2.9789 | 100.0 | (1,0,-1) |
| 30.04 | 2.9743 | 31.9 | (0,0,2) |
| 30.22 | 2.9574 | 56.1 | (2,1,1) |
| 30.49 | 2.9320 | 52.1 | (2,2,2) |
| 31.11 | 2.8746 | 19.9 | (2,2,0) |
| 32.31 | 2.7711 | 5.4 | (2,1,0) |
| 35.33 | 2.5403 | 1.7 | (2,1,2) |
| 40.56 | 2.2241 | 17.3 | (1,1,-2) |
| 40.61 | 2.2215 | 26.4 | (2,1,-1) |
| 40.95 | 2.2037 | 41.0 | (3,2,1) |
| 41.25 | 2.1888 | 10.9 | (3,3,2) |
| 41.60 | 2.1709 | 2.7 | (1,0,-2) |
| 41.61 | 2.1706 | 1.5 | (3,3,1) |
| 45.21 | 2.0056 | 30.8 | (1,-1,0) |
| 45.55 | 1.9916 | 58.4 | (2,1,3) |
| 45.76 | 1.9829 | 2.4 | (0,0,3) |
| 52.71 | 1.7367 | 1.8 | (2,1,-2) |
| 54.42 | 1.6860 | 6.8 | (2,2,-2) |
| 54.53 | 1.6829 | 13.4 | (3,2,-1) |
Energy Properties
Formation Energy/atom
-0.38813
eV/atom
Energy/atom
-5.96137
eV/atom
Energy above Hull
0.0513
eV/atom
Uncorrected Energy
-5.7202
eV/atom
Volume/atom
22.68
ų
c/a Ratio
0.9907
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.1385
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.044970
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.571
Element Family
N/A
Solute Fraction
0.429
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.528
Family
Te-rich Multi-Component
Matrix Element
Te · 0.571
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025239
Reference Citation
The crystal structure and related material properties of Cr2CoTe4 were obtained from the Materials Project database (MP-ID: mp-1025239, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Cr2CoTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94890188
_cell_length_b 6.94890188
_cell_length_c 6.88403737
_cell_angle_alpha 61.19229681
_cell_angle_beta 61.19229681
_cell_angle_gamma 33.55131271
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr2CoTe4
_chemical_formula_sum 'Cr2 Co1 Te4'
_cell_volume 158.75406306
_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 0.74253700 0.74253700 0.27597800 1.0
Cr Cr1 1 0.25746300 0.25746300 0.72402200 1.0
Co Co2 1 0.00000000 0.00000000 0.00000000 1.0
Te Te3 1 0.88559500 0.88559500 0.44610700 1.0
Te Te4 1 0.11440500 0.11440500 0.55389300 1.0
Te Te5 1 0.62700200 0.62700200 0.03005200 1.0
Te Te6 1 0.37299800 0.37299800 0.96994800 1.0
