DyTlTe2

Elasticity Data ELA

MP-ID: mp-1007908 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

DyTlTe2

MP-ID

mp-1007908

Elements

Sites

Density

7.4189

g/cm³

Volume

139.24

Å³

Cell a

4.4419

Cell b

4.4419

Cell c

8.5429

α Angle

74.93

β Angle

74.93

γ Angle

60.00

Space Group

R-3m

Point Group

-3m

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
21.81	4.0745	4.5	(0,0,2)
23.41	3.8000	1.4	(1,1,1)
24.26	3.6693	2.4	(0,1,1)
24.26	3.6693	4.8	(1,1,0)
27.40	3.2556	50.0	(0,1,-1)
27.40	3.2556	100.0	(1,0,-1)
29.55	3.0232	6.2	(1,0,2)
32.98	2.7163	3.5	(0,0,3)
34.69	2.5857	1.2	(1,0,-2)
37.59	2.3927	57.7	(1,0,3)
40.62	2.2209	36.4	(1,2,1)
40.62	2.2209	18.2	(2,1,1)
43.88	2.0633	2.7	(1,0,-3)
43.88	2.0633	1.4	(1,1,4)
44.47	2.0372	9.8	(0,0,4)
46.57	1.9500	3.3	(2,1,-1)
47.23	1.9244	1.4	(1,1,-3)
49.69	1.8347	29.4	(2,2,0)
53.28	1.7194	4.5	(1,-1,3)
54.30	1.6895	4.0	(1,0,-4)
56.54	1.6278	5.9	(0,2,-2)
56.54	1.6278	11.9	(2,0,-2)
58.00	1.5900	3.2	(1,1,-4)
61.33	1.5116	1.6	(2,0,4)

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Energy Properties

Formation Energy/atom

-1.25826

eV/atom

Energy/atom

-4.57737

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.2498

eV/atom

Volume/atom

34.81

Å³

c/a Ratio

1.9233

Electronic Properties

Metallic

Non-metal

Band Gap

0.658

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

29.759

GPa

G_VRH

17.633

GPa

Young's Modulus E

44.174

GPa

Poisson Ratio ν

0.253

Pugh Ratio K/G

1.688

Vickers Hardness Est.

2.810

GPa

Ductility

Ductile

Anisotropy

1.416

Lame λ

18.004

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.4160

Homogeneous Poisson ν

0.2530

Debye Temperature

226.2

Sound Velocity

1,712.1

m/s

Homogeneity

0.2530

Related Tasks

Related computation task IDs (6)

aaaciqpq aaaehlcj aaaenham aaafasfj aaafdizj aaagbmto

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1007908

Reference Citation

The crystal structure and related material properties of DyTlTe2 were obtained from the Materials Project database (MP-ID: mp-1007908, 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_DyTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44185166
_cell_length_b   4.44185236
_cell_length_c   8.54289767
_cell_angle_alpha   74.93151965
_cell_angle_beta   74.93152133
_cell_angle_gamma   60.00000269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyTlTe2
_chemical_formula_sum   'Dy1 Tl1 Te2'
_cell_volume   139.23784983
_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
  Dy  Dy0  1  0.00000000  0.00000000  -0.00000000  1.0
  Tl  Tl1  1  0.50000000  0.50000000  0.50000000  1.0
  Te  Te2  1  0.73757290  0.73757290  0.78728130  1.0
  Te  Te3  1  0.26242710  0.26242710  0.21271870  1.0

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