Basic Information
Formula
CrCdTe2
MP-ID
mp-1018083
Elements
3
Sites
4
Density
5.2338
g/cm³
Volume
133.13
ų
Cell a
4.5233
Å
Cell b
4.5233
Å
Cell c
6.5067
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P-4m2
Point Group
-42m
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 19.63 | 4.5233 | 3.2 | (1,0,0) |
| 23.96 | 3.7140 | 100.0 | (1,0,1) |
| 27.89 | 3.1985 | 2.3 | (1,1,0) |
| 31.16 | 2.8704 | 4.9 | (1,1,1) |
| 33.94 | 2.6412 | 3.5 | (1,0,2) |
| 39.51 | 2.2808 | 49.5 | (1,1,2) |
| 39.86 | 2.2617 | 25.1 | (2,0,0) |
| 41.64 | 2.1689 | 1.5 | (0,0,3) |
| 46.43 | 1.9557 | 15.0 | (1,0,3) |
| 47.04 | 1.9317 | 31.7 | (2,1,1) |
| 53.33 | 1.7179 | 1.9 | (2,1,2) |
| 56.58 | 1.6267 | 3.7 | (0,0,4) |
| 57.64 | 1.5992 | 8.2 | (2,2,0) |
| 59.01 | 1.5654 | 2.2 | (2,0,3) |
| 60.48 | 1.5307 | 1.6 | (1,0,4) |
| 62.82 | 1.4793 | 11.8 | (2,1,3) |
| 63.32 | 1.4689 | 6.3 | (3,0,1) |
| 66.98 | 1.3970 | 1.1 | (3,1,1) |
| 71.43 | 1.3206 | 7.2 | (2,0,4) |
| 72.14 | 1.3094 | 15.8 | (3,1,2) |
| 73.59 | 1.2872 | 1.1 | (2,2,3) |
| 74.91 | 1.2677 | 1.7 | (2,1,4) |
| 76.11 | 1.2506 | 2.8 | (1,0,5) |
| 77.03 | 1.2380 | 3.2 | (3,0,3) |
Energy Properties
Formation Energy/atom
-0.33509
eV/atom
Energy/atom
-4.56000
eV/atom
Energy above Hull
0.1843
eV/atom
Uncorrected Energy
-4.3490
eV/atom
Volume/atom
33.28
ų
c/a Ratio
1.4385
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
0.030050
μB/ų
Elastic Properties
KVRH
38.574
GPa
GVRH
8.827
GPa
Young's Modulus E
24.604
GPa
Poisson Ratio ν
0.394
Pugh Ratio K/G
4.370
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.702
Lame λ
32.689
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.346
Family
Te-rich Multi-Component
Matrix Element
Te · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018083
Reference Citation
The crystal structure and related material properties of CrCdTe2 were obtained from the Materials Project database (MP-ID: mp-1018083, 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_CrCdTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52331000
_cell_length_b 4.52331000
_cell_length_c 6.50669600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrCdTe2
_chemical_formula_sum 'Cr1 Cd1 Te2'
_cell_volume 133.12916921
_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
Cd Cd1 1 0.50000000 0.50000000 0.50000000 1.0
Te Te2 1 0.00000000 0.50000000 0.77048400 1.0
Te Te3 1 0.50000000 0.00000000 0.22951600 1.0
