Te4Mo3

Elasticity Data ELA

MP-ID: mp-8601 · Space group: R-3 (#148)

Materials Project API

Basic Information

Formula

Te4Mo3

MP-ID

mp-8601

Elements

Sites

Density

7.1639

g/cm³

Volume

370.05

Å³

Cell a

7.1850

Cell b

7.1850

Cell c

7.1850

α Angle

92.25

β Angle

92.25

γ Angle

92.25

Space Group

R-3

Point Group

-3

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

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
12.34	7.1735	100.0	(1,0,0)
12.34	7.1735	50.0	(0,1,0)
17.12	5.1792	2.9	(1,0,-1)
24.82	3.5868	22.5	(2,0,0)
24.82	3.5868	11.2	(0,2,0)
27.34	3.2618	12.4	(2,0,-1)
28.27	3.1570	41.8	(2,1,0)
28.27	3.1570	59.0	(1,2,0)
29.88	2.9902	86.0	(2,-1,-1)
30.31	2.9487	16.3	(2,1,-1)
30.31	2.9487	29.9	(1,2,-1)
31.57	2.8338	5.3	(2,1,1)
31.57	2.8338	2.6	(1,2,1)
34.64	2.5896	3.9	(0,2,-2)
34.64	2.5896	7.7	(2,0,-2)
36.13	2.4860	5.1	(2,2,0)
36.13	2.4860	2.6	(0,2,2)
36.90	2.4357	37.7	(2,1,-2)
36.90	2.4357	18.9	(2,-1,-2)
37.62	2.3912	3.5	(2,2,-1)
37.62	2.3912	1.7	(0,3,0)
39.01	2.3089	37.2	(2,2,1)
39.23	2.2968	8.0	(3,0,-1)
39.23	2.2968	8.8	(1,0,-3)

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Energy Properties

Formation Energy/atom

-0.30248

eV/atom

Energy/atom

-26.00032

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.0003

eV/atom

Volume/atom

26.43

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.019

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

32.683

GPa

G_VRH

13.203

GPa

Young's Modulus E

34.908

GPa

Poisson Ratio ν

0.322

Pugh Ratio K/G

2.475

Vickers Hardness Est.

0.134

GPa

Ductility

Brittle

Anisotropy

13.390

Lame λ

23.881

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

13.3900

Homogeneous Poisson ν

0.3220

Debye Temperature

213.5

Sound Velocity

1,520.7

m/s

Homogeneity

0.3220

Related Tasks

Related computation task IDs (5)

aaadnfby aaadtbac aaaemozh aaaetxww aaafsdtl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8601

Reference Citation

The crystal structure and related material properties of Te4Mo3 were obtained from the Materials Project database (MP-ID: mp-8601, 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_Te4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18502060
_cell_length_b   7.18501939
_cell_length_c   7.18502019
_cell_angle_alpha   92.24611134
_cell_angle_beta   92.24608511
_cell_angle_gamma   92.24608736
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te4Mo3
_chemical_formula_sum   'Te8 Mo6'
_cell_volume   370.04519433
_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
  Te  Te0  1  0.28409267  0.28409267  0.28409267  1.0
  Te  Te1  1  0.71590733  0.71590733  0.71590733  1.0
  Te  Te2  1  0.88356871  0.61772269  0.23796302  1.0
  Te  Te3  1  0.23796302  0.88356871  0.61772269  1.0
  Te  Te4  1  0.61772269  0.23796302  0.88356871  1.0
  Te  Te5  1  0.11643129  0.38227731  0.76203798  1.0
  Te  Te6  1  0.76203798  0.11643129  0.38227731  1.0
  Te  Te7  1  0.38227731  0.76203798  0.11643129  1.0
  Mo  Mo8  1  0.95299453  0.25057638  0.08115379  1.0
  Mo  Mo9  1  0.08115379  0.95299453  0.25057638  1.0
  Mo  Mo10  1  0.25057638  0.08115379  0.95299453  1.0
  Mo  Mo11  1  0.04700547  0.74942262  0.91884621  1.0
  Mo  Mo12  1  0.91884621  0.04700547  0.74942262  1.0
  Mo  Mo13  1  0.74942262  0.91884621  0.04700547  1.0

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