Cr3Te4
Traditional Materials TRAMP-ID: mp-1078012 · Space group: C2/m (#12)
Basic Information
Formula
Cr3Te4
MP-ID
mp-1078012
Elements
2
Sites
7
Density
6.2954
g/cm³
Volume
175.77
ų
Cell a
7.4016
Å
Cell b
7.4016
Å
Cell c
6.9840
Å
α Angle
63.07
°
β Angle
63.07
°
γ Angle
31.37
°
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 |
|---|---|---|---|
| 14.08 | 6.2879 | 7.2 | (1,1,0) |
| 14.37 | 6.1627 | 2.5 | (0,0,1) |
| 14.65 | 6.0479 | 4.6 | (1,1,1) |
| 23.32 | 3.8141 | 3.0 | (1,0,0) |
| 25.02 | 3.5594 | 1.8 | (2,2,1) |
| 25.51 | 3.4911 | 1.9 | (1,1,2) |
| 25.65 | 3.4725 | 4.8 | (1,0,1) |
| 28.39 | 3.1440 | 26.7 | (2,2,0) |
| 28.98 | 3.0814 | 35.7 | (0,0,2) |
| 29.24 | 3.0540 | 100.0 | (1,0,-1) |
| 29.52 | 3.0257 | 64.9 | (2,1,1) |
| 29.54 | 3.0240 | 51.1 | (2,2,2) |
| 30.89 | 2.8949 | 4.5 | (2,1,0) |
| 34.96 | 2.5666 | 1.3 | (2,1,2) |
| 38.09 | 2.3624 | 13.9 | (1,1,-2) |
| 38.30 | 2.3498 | 1.0 | (3,3,1) |
| 38.41 | 2.3435 | 41.2 | (2,1,-1) |
| 38.85 | 2.3180 | 30.3 | (3,2,1) |
| 38.97 | 2.3109 | 19.6 | (3,3,2) |
| 40.16 | 2.2454 | 2.9 | (1,0,-2) |
| 44.08 | 2.0542 | 2.1 | (0,0,3) |
| 45.06 | 2.0120 | 57.7 | (2,1,3) |
| 45.31 | 2.0013 | 29.1 | (1,-1,0) |
| 49.73 | 1.8334 | 1.2 | (2,1,-2) |
Energy Properties
Formation Energy/atom
-0.42851
eV/atom
Energy/atom
-6.36170
eV/atom
Energy above Hull
0.0148
eV/atom
Uncorrected Energy
-21.4443
eV/atom
Volume/atom
25.11
ų
c/a Ratio
0.9436
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
10.0028
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.056910
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Te · 0.571
Element Family
N/A
Solute Fraction
0.429
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.643
Family
Binary Alloy
Matrix Element
Te · 0.571
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1078012
Reference Citation
The crystal structure and related material properties of Cr3Te4 were obtained from the Materials Project database (MP-ID: mp-1078012, 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_Cr3Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40159381
_cell_length_b 7.40159381
_cell_length_c 6.98398672
_cell_angle_alpha 63.06614049
_cell_angle_beta 63.06614049
_cell_angle_gamma 31.37459530
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr3Te4
_chemical_formula_sum 'Cr3 Te4'
_cell_volume 175.77336816
_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
Cr Cr1 1 0.25933250 0.25933250 0.72285042 1.0
Cr Cr2 1 0.74066750 0.74066750 0.27714958 1.0
Te Te3 1 0.36666873 0.36666873 0.97336520 1.0
Te Te4 1 0.63333127 0.63333127 0.02663480 1.0
Te Te5 1 0.12261248 0.12261248 0.54784175 1.0
Te Te6 1 0.87738752 0.87738752 0.45215825 1.0
