V5Te4
Traditional Materials TRAMP-ID: mp-9948 · Space group: I4/m (#87)
Basic Information
Formula
V5Te4
MP-ID
mp-9948
Elements
2
Sites
9
Density
6.7977
g/cm³
Volume
186.90
ų
Cell a
7.1382
Å
Cell b
7.1382
Å
Cell c
7.1382
Å
α Angle
94.45
°
β Angle
94.45
°
γ Angle
147.65
°
Space Group
I4/m
Point Group
4/m
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
Yes
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 |
|---|---|---|---|
| 12.91 | 6.8557 | 12.0 | (0,0,1) |
| 18.30 | 4.8477 | 1.0 | (1,-1,1) |
| 24.19 | 3.6791 | 7.7 | (1,0,0) |
| 25.99 | 3.4279 | 28.1 | (0,0,2) |
| 29.13 | 3.0660 | 41.2 | (1,-1,2) |
| 30.50 | 2.9307 | 100.0 | (1,0,1) |
| 35.80 | 2.5080 | 35.0 | (2,-1,1) |
| 39.43 | 2.2852 | 1.7 | (0,0,3) |
| 40.50 | 2.2275 | 21.0 | (1,0,2) |
| 41.66 | 2.1680 | 36.8 | (1,-1,3) |
| 44.78 | 2.0241 | 63.5 | (2,-1,2) |
| 45.63 | 1.9883 | 23.2 | (1,1,-1) |
| 47.84 | 1.9014 | 1.8 | (2,-2,3) |
| 52.50 | 1.7429 | 23.5 | (1,0,3) |
| 53.26 | 1.7199 | 7.7 | (1,1,1) |
| 55.05 | 1.6682 | 14.2 | (2,0,1) |
| 55.24 | 1.6628 | 16.9 | (1,-1,4) |
| 56.07 | 1.6401 | 1.7 | (2,-1,3) |
| 56.99 | 1.6159 | 4.5 | (3,-3,3) |
| 60.38 | 1.5330 | 6.4 | (2,-2,4) |
| 62.81 | 1.4795 | 4.3 | (3,-2,3) |
| 63.49 | 1.4653 | 20.1 | (2,0,2) |
| 68.25 | 1.3742 | 1.3 | (3,-1,2) |
| 68.42 | 1.3711 | 6.8 | (0,0,5) |
Energy Properties
Formation Energy/atom
-0.49330
eV/atom
Energy/atom
-6.93694
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-6.7494
eV/atom
Volume/atom
20.77
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
0.8372
μB
Mag. Ordering
FiM
Mag. Sites
5
Magnetization/Volume
0.004480
μB/ų
Elastic Properties
KVRH
52.954
GPa
GVRH
1.347
GPa
Young's Modulus E
4.007
GPa
Poisson Ratio ν
0.487
Pugh Ratio K/G
39.313
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
-9.703
Lame λ
52.056
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
V · 0.556
Element Family
N/A
Solute Fraction
0.444
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.731
Family
Binary Alloy
Matrix Element
V · 0.556
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9948
Reference Citation
The crystal structure and related material properties of V5Te4 were obtained from the Materials Project database (MP-ID: mp-9948, 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_V5Te4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13819421
_cell_length_b 7.13819421
_cell_length_c 7.13819421
_cell_angle_alpha 94.44967689
_cell_angle_beta 94.44967689
_cell_angle_gamma 147.65405423
_symmetry_Int_Tables_number 1
_chemical_formula_structural V5Te4
_chemical_formula_sum 'V5 Te4'
_cell_volume 186.89890155
_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
V V0 1 0.00000000 0.00000000 0.00000000 1.0
V V1 1 0.66029100 0.41048800 0.07077900 1.0
V V2 1 0.41048800 0.33970900 0.75019700 1.0
V V3 1 0.58951200 0.66029100 0.24980300 1.0
V V4 1 0.33970900 0.58951200 0.92922100 1.0
Te Te5 1 0.92609600 0.27601200 0.20210900 1.0
Te Te6 1 0.27601200 0.07390400 0.34991600 1.0
Te Te7 1 0.72398800 0.92609600 0.65008400 1.0
Te Te8 1 0.07390400 0.72398800 0.79789100 1.0
