Dy2Tl

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30625 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Dy2Tl

MP-ID

mp-30625

Elements

Sites

Density

10.5381

g/cm³

Volume

166.84

Å³

Cell a

5.3700

Cell b

5.3700

Cell c

6.6806

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
23.31	3.8168	3.0	(1,0,-1,1)
26.69	3.3403	13.0	(0,0,0,2)
33.02	2.7130	88.0	(1,-1,0,2)
33.02	2.7130	44.0	(1,0,-1,2)
33.37	2.6850	50.0	(1,-2,1,0)
33.37	2.6850	100.0	(2,-1,-1,0)
43.23	2.0927	14.6	(1,1,-2,2)
43.23	2.0927	7.3	(2,-1,-1,2)
47.65	1.9084	31.9	(2,-2,0,2)
47.65	1.9084	15.9	(2,0,-2,2)
54.98	1.6702	12.2	(0,0,0,4)
59.42	1.5555	24.9	(2,-3,1,2)
59.42	1.5555	24.9	(3,-1,-2,2)
59.64	1.5502	19.2	(3,-3,0,0)
59.64	1.5502	9.6	(3,0,-3,0)
65.86	1.4182	42.8	(2,-1,-1,4)
66.50	1.4061	4.1	(3,-3,0,2)
66.50	1.4061	2.1	(3,0,-3,2)
70.09	1.3425	5.9	(2,-4,2,0)
70.09	1.3425	11.9	(4,-2,-2,0)
76.47	1.2457	1.4	(2,-4,2,2)
76.47	1.2457	1.4	(2,2,-4,2)
76.47	1.2457	1.4	(4,-2,-2,2)
79.69	1.2032	3.6	(1,-4,3,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.38064

eV/atom

Energy/atom

-39.42827

eV/atom

Energy above Hull

0.0122

eV/atom

Uncorrected Energy

-39.4283

eV/atom

Volume/atom

27.81

Å³

c/a Ratio

1.2441

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.7603

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.010550

μB/Å³

Elastic Properties

K_VRH

53.540

GPa

G_VRH

22.798

GPa

Young's Modulus E

59.893

GPa

Poisson Ratio ν

0.314

Pugh Ratio K/G

2.348

Vickers Hardness Est.

1.588

GPa

Ductility

Brittle

Anisotropy

1.158

Lame λ

38.341

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Dy · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.614

Family

Binary Alloy

Matrix Element

Dy · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.1580

Homogeneous Poisson ν

0.3140

Debye Temperature

222.1

Sound Velocity

1,645.8

m/s

Homogeneity

0.3140

Related Tasks

Related computation task IDs (5)

aaadmuzr aaadsyyt aaaempoh aaaeuwkt aaafdgpc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30625

Reference Citation

The crystal structure and related material properties of Dy2Tl were obtained from the Materials Project database (MP-ID: mp-30625, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Dy2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36995459
_cell_length_b   5.36995587
_cell_length_c   6.68059790
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000475
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Tl
_chemical_formula_sum   'Dy4 Tl2'
_cell_volume   166.83504131
_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
  Dy  Dy0  1  0.00000000  0.00000000  -0.00000000  1.0
  Dy  Dy1  1  0.00000000  0.00000000  0.50000000  1.0
  Dy  Dy2  1  0.33333300  0.66666700  0.75000000  1.0
  Dy  Dy3  1  0.66666700  0.33333300  0.25000000  1.0
  Tl  Tl4  1  0.33333300  0.66666700  0.25000000  1.0
  Tl  Tl5  1  0.66666700  0.33333300  0.75000000  1.0

Get direct link