HoTlTe2

弹性数据 ELA

MP-ID: mp-1007663 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

HoTlTe2

MP-ID

mp-1007663

Elements

Sites

Density

7.4933

g/cm³

Volume

138.39

Å³

Cell a

4.4323

Cell b

4.4323

Cell c

8.5274

α Angle

74.94

β Angle

74.94

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
21.85	4.0672	4.7	(0,0,2)
23.46	3.7919	1.3	(1,1,1)
24.31	3.6616	7.4	(1,1,0)
27.45	3.2489	100.0	(1,0,-1)
27.45	3.2489	50.0	(1,1,2)
29.61	3.0172	2.0	(0,1,2)
29.61	3.0172	4.1	(1,1,-1)
33.04	2.7115	3.4	(0,0,3)
34.76	2.5807	2.0	(1,0,-2)
37.67	2.3881	57.5	(1,0,3)
40.71	2.2162	54.7	(2,1,1)
43.97	2.0594	4.3	(1,0,-3)
44.55	2.0336	9.7	(0,0,4)
46.68	1.9460	2.8	(1,2,-1)
46.68	1.9460	1.4	(2,1,-1)
47.33	1.9208	2.2	(1,1,-3)
49.81	1.8308	9.8	(0,2,2)
49.81	1.8308	19.6	(2,2,0)
51.14	1.7861	1.4	(2,0,-1)
53.39	1.7159	4.4	(1,-1,3)
54.41	1.6863	2.6	(1,0,-4)
54.41	1.6863	1.3	(1,1,5)
56.66	1.6245	5.9	(0,2,-2)
56.66	1.6245	11.8	(2,0,-2)

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Energy Properties

Formation Energy/atom

-1.25052

eV/atom

Energy/atom

-4.56446

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.4641

eV/atom

Volume/atom

34.60

Å³

c/a Ratio

1.9239

Electronic Properties

Metallic

Non-metal

Band Gap

0.660

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

29.727

GPa

G_VRH

17.830

GPa

Young's Modulus E

44.578

GPa

Poisson Ratio ν

0.250

Pugh Ratio K/G

1.667

Vickers Hardness Est.

2.932

GPa

Ductility

Ductile

Anisotropy

1.442

Lame λ

17.840

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.4420

Homogeneous Poisson ν

0.2500

Debye Temperature

227.0

Sound Velocity

1,712.5

m/s

Homogeneity

0.2500

Related Tasks

Related computation task IDs (6)

aaaciquy aaaehbcv aaaenlng aaafaqdg aaafsctm aaagbnpf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1007663

Reference Citation

The crystal structure and related material properties of HoTlTe2 were obtained from the Materials Project database (MP-ID: mp-1007663, 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_HoTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43231965
_cell_length_b   4.43232047
_cell_length_c   8.52741825
_cell_angle_alpha   74.93668062
_cell_angle_beta   74.93668464
_cell_angle_gamma   60.00000184
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTlTe2
_chemical_formula_sum   'Ho1 Tl1 Te2'
_cell_volume   138.39427109
_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
  Ho  Ho0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Tl  Tl1  1  0.50000000  0.50000000  0.50000000  1.0
  Te  Te2  1  0.73732775  0.73732775  0.78801676  1.0
  Te  Te3  1  0.26267225  0.26267225  0.21198324  1.0

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