V3Te4

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1028 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

V3Te4

MP-ID

mp-1028

Elements

Sites

Density

6.4197

g/cm³

Volume

171.55

Å³

Cell a

3.9978

Cell b

6.9160

Cell c

7.2966

α Angle

116.70

β Angle

105.90

γ Angle

90.00

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.27	6.2048	3.1	(0,0,1)
14.49	6.1150	1.6	(0,1,0)
14.85	5.9661	1.5	(0,1,-1)
23.38	3.8052	4.3	(1,0,-1)
25.41	3.5051	1.5	(0,1,-2)
25.74	3.4608	8.4	(1,-1,0)
25.77	3.4565	1.4	(0,2,-1)
28.78	3.1024	25.7	(0,0,2)
29.21	3.0575	38.3	(0,2,0)
29.37	3.0413	100.0	(1,-1,-1)
29.74	3.0039	59.0	(1,1,-2)
29.95	2.9831	53.5	(0,2,-2)
31.11	2.8746	7.9	(1,0,-2)
35.23	2.5473	2.7	(1,-2,1)
38.42	2.3428	13.3	(0,2,1)
38.70	2.3269	33.5	(1,-1,-2)
38.91	2.3147	5.1	(0,1,-3)
39.28	2.2936	35.7	(1,1,-3)
39.59	2.2762	12.2	(0,2,-3)
40.00	2.2539	1.5	(0,3,-2)
40.40	2.2324	3.6	(1,-2,-1)
41.25	2.1886	1.0	(1,-2,2)
42.89	2.1086	1.4	(1,0,-3)
44.45	2.0383	2.5	(0,3,0)

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Energy Properties

Formation Energy/atom

-0.55939

eV/atom

Energy/atom

-6.24867

eV/atom

Energy above Hull

0.0145

eV/atom

Uncorrected Energy

-21.1557

eV/atom

Volume/atom

24.51

Å³

c/a Ratio

1.8252

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.0081

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.040850

μB/Å³

Elastic Properties

K_VRH

49.227

GPa

G_VRH

32.562

GPa

Young's Modulus E

80.038

GPa

Poisson Ratio ν

0.229

Pugh Ratio K/G

1.512

Vickers Hardness Est.

6.461

GPa

Ductility

Ductile

Anisotropy

0.496

Lame λ

27.519

GPa

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

Score

0.643

Family

Binary Alloy

Matrix Element

Te · 0.571

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4960

Homogeneous Poisson ν

0.2290

Debye Temperature

416.9

Sound Velocity

2,494.3

m/s

Homogeneity

0.2290

Related Tasks

Related computation task IDs (5)

aaadmqup aaaekxya aaaeuhtm aaaezsru aaafijte

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028

Reference Citation

The crystal structure and related material properties of V3Te4 were obtained from the Materials Project database (MP-ID: mp-1028, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_V3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99776476
_cell_length_b   6.91597519
_cell_length_c   7.29659123
_cell_angle_alpha   116.69614101
_cell_angle_beta   105.89929891
_cell_angle_gamma   90.00000399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Te4
_chemical_formula_sum   'V3 Te4'
_cell_volume   171.55194679
_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  0.25727556  0.28931509  0.51455212  1.0
  V  V1  1  0.74272444  0.71068491  0.48544788  1.0
  V  V2  1  0.00000000  0.00000000  -0.00000000  1.0
  Te  Te3  1  0.63576801  0.97587307  0.27153703  1.0
  Te  Te4  1  0.36423199  0.02412693  0.72846297  1.0
  Te  Te5  1  0.11287653  0.45248083  0.22575206  1.0
  Te  Te6  1  0.88712347  0.54751917  0.77424794  1.0

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