Cu7Te4
Traditional Materials TRAMP-ID: mp-624307 · Space group: P3m1 (#156)
Basic Information
Formula
Cu7Te4
MP-ID
mp-624307
Elements
2
Sites
22
Density
7.7859
g/cm³
Volume
407.45
ų
Cell a
7.7411
Å
Cell b
7.7411
Å
Cell c
7.8513
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P3m1
Point Group
3m
Crystal System
Trigonal
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 |
|---|---|---|---|
| 11.27 | 7.8513 | 1.3 | (0,0,0,1) |
| 13.21 | 6.7040 | 1.2 | (1,-1,0,0) |
| 13.21 | 6.7040 | 2.4 | (1,0,-1,0) |
| 17.39 | 5.0983 | 6.0 | (1,0,-1,1) |
| 25.66 | 3.4716 | 9.5 | (2,-1,-1,1) |
| 26.31 | 3.3876 | 43.3 | (1,0,-1,2) |
| 26.59 | 3.3520 | 49.8 | (2,0,-2,0) |
| 28.96 | 3.0828 | 4.1 | (2,0,-2,1) |
| 32.49 | 2.7562 | 30.2 | (2,-1,-1,2) |
| 34.26 | 2.6171 | 2.7 | (0,0,0,3) |
| 35.21 | 2.5491 | 50.0 | (2,-2,0,2) |
| 35.21 | 2.5491 | 100.0 | (2,0,-2,2) |
| 35.43 | 2.5339 | 11.4 | (3,-1,-2,0) |
| 36.87 | 2.4379 | 4.1 | (1,0,-1,3) |
| 37.29 | 2.4114 | 32.5 | (3,-1,-2,1) |
| 40.36 | 2.2347 | 11.5 | (3,0,-3,0) |
| 42.04 | 2.1493 | 10.8 | (3,0,-3,1) |
| 42.46 | 2.1289 | 74.7 | (3,-1,-2,2) |
| 42.46 | 2.1289 | 37.4 | (2,1,-3,2) |
| 43.89 | 2.0628 | 18.8 | (2,0,-2,3) |
| 46.25 | 1.9628 | 15.5 | (0,0,0,4) |
| 46.78 | 1.9421 | 12.1 | (3,0,-3,2) |
| 46.95 | 1.9353 | 81.5 | (4,-2,-2,0) |
| 48.32 | 1.8837 | 25.3 | (1,0,-1,4) |
Energy Properties
Formation Energy/atom
0.08466
eV/atom
Energy/atom
-16.06047
eV/atom
Energy above Hull
0.1459
eV/atom
Uncorrected Energy
-3.6537
eV/atom
Volume/atom
18.52
ų
c/a Ratio
1.0142
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0044
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.636
Element Family
N/A
Solute Fraction
0.364
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.673
Family
Cu-based Alloy
Matrix Element
Cu · 0.636
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-624307
Reference Citation
The crystal structure and related material properties of Cu7Te4 were obtained from the Materials Project database (MP-ID: mp-624307, 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_Cu7Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.74112260
_cell_length_b 7.74112260
_cell_length_c 7.85125300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000514
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu7Te4
_chemical_formula_sum 'Cu14 Te8'
_cell_volume 407.45295611
_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
Cu Cu0 1 0.33333300 0.66666700 0.20526700 1.0
Cu Cu1 1 0.66666700 0.33333300 0.97144300 1.0
Cu Cu2 1 0.79942900 0.20057100 0.47893300 1.0
Cu Cu3 1 0.79942900 0.59885800 0.47893300 1.0
Cu Cu4 1 0.40114200 0.20057100 0.47893300 1.0
Cu Cu5 1 0.20408100 0.79591900 0.44723400 1.0
Cu Cu6 1 0.20408100 0.40816200 0.44723400 1.0
Cu Cu7 1 0.59183800 0.79591900 0.44723400 1.0
Cu Cu8 1 0.85359700 0.14640300 0.84849600 1.0
Cu Cu9 1 0.85359700 0.70719300 0.84849600 1.0
Cu Cu10 1 0.29280700 0.14640300 0.84849600 1.0
Cu Cu11 1 0.20752700 0.79247300 0.96363700 1.0
Cu Cu12 1 0.20752700 0.41505400 0.96363700 1.0
Cu Cu13 1 0.58494600 0.79247300 0.96363700 1.0
Te Te14 1 0.00000000 0.00000000 0.06452000 1.0
Te Te15 1 0.00000000 0.00000000 0.54682300 1.0
Te Te16 1 0.51886300 0.48113700 0.22747500 1.0
Te Te17 1 0.51886300 0.03772600 0.22747500 1.0
Te Te18 1 0.96227400 0.48113700 0.22747500 1.0
Te Te19 1 0.49380800 0.50619200 0.71554000 1.0
Te Te20 1 0.49380800 0.98761600 0.71554000 1.0
Te Te21 1 0.01238400 0.50619200 0.71554000 1.0
