Basic Information
Formula
V2FeTe4
MP-ID
mp-1025378
Elements
3
Sites
7
Density
6.9151
g/cm³
Volume
160.44
ų
Cell a
7.1576
Å
Cell b
7.1576
Å
Cell c
6.8244
Å
α Angle
61.77
°
β Angle
61.77
°
γ Angle
31.81
°
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 |
|---|---|---|---|
| 14.91 | 5.9418 | 1.7 | (0,0,1) |
| 14.97 | 5.9194 | 2.2 | (1,1,1) |
| 23.87 | 3.7281 | 6.9 | (1,0,0) |
| 25.79 | 3.4547 | 1.1 | (1,1,-1) |
| 26.12 | 3.4122 | 2.2 | (1,1,2) |
| 26.20 | 3.4009 | 6.4 | (1,0,1) |
| 29.81 | 2.9967 | 21.7 | (2,2,0) |
| 30.08 | 2.9709 | 50.2 | (0,0,2) |
| 30.19 | 2.9606 | 61.9 | (1,0,-1) |
| 30.20 | 2.9597 | 36.3 | (2,2,2) |
| 30.24 | 2.9551 | 100.0 | (2,1,1) |
| 31.97 | 2.7992 | 9.4 | (2,1,0) |
| 35.65 | 2.5188 | 5.1 | (1,0,2) |
| 39.80 | 2.2649 | 10.2 | (2,2,-1) |
| 39.95 | 2.2565 | 11.0 | (1,1,-2) |
| 40.06 | 2.2508 | 38.3 | (2,1,-1) |
| 40.14 | 2.2467 | 16.6 | (3,3,2) |
| 40.15 | 2.2459 | 28.1 | (3,2,1) |
| 40.32 | 2.2367 | 3.3 | (1,1,3) |
| 41.67 | 2.1674 | 3.4 | (1,0,-2) |
| 41.80 | 2.1609 | 3.4 | (3,2,2) |
| 46.00 | 1.9731 | 2.8 | (3,3,3) |
| 46.13 | 1.9678 | 54.2 | (2,1,3) |
| 46.29 | 1.9613 | 29.7 | (1,-1,0) |
Energy Properties
Formation Energy/atom
-0.44673
eV/atom
Energy/atom
-6.04830
eV/atom
Energy above Hull
0.0808
eV/atom
Uncorrected Energy
-5.8072
eV/atom
Volume/atom
22.92
ų
c/a Ratio
0.9534
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.2542
μB
Mag. Ordering
FM
Mag. Sites
3
Magnetization/Volume
0.038980
μB/ų
Elastic Properties
KVRH
49.149
GPa
GVRH
32.385
GPa
Young's Modulus E
79.659
GPa
Poisson Ratio ν
0.230
Pugh Ratio K/G
1.518
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.648
Lame λ
27.559
GPa
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
0.482
Family
Te-rich Multi-Component
Matrix Element
Te · 0.571
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025378
Reference Citation
The crystal structure and related material properties of V2FeTe4 were obtained from the Materials Project database (MP-ID: mp-1025378, 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_V2FeTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15760828
_cell_length_b 7.15760828
_cell_length_c 6.82437748
_cell_angle_alpha 61.76758657
_cell_angle_beta 61.76758657
_cell_angle_gamma 31.80727843
_symmetry_Int_Tables_number 1
_chemical_formula_structural V2FeTe4
_chemical_formula_sum 'V2 Fe1 Te4'
_cell_volume 160.44018767
_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 0.24903800 0.24903800 0.79373100 1.0
V V1 1 0.75096200 0.75096200 0.20626900 1.0
Fe Fe2 1 0.00000000 0.00000000 0.00000000 1.0
Te Te3 1 0.10777600 0.10777600 0.23234100 1.0
Te Te4 1 0.89222400 0.89222400 0.76765900 1.0
Te Te5 1 0.36423900 0.36423900 0.30234300 1.0
Te Te6 1 0.63576100 0.63576100 0.69765700 1.0
