GaTe

弹性数据 ELA

MP-ID: mp-10009 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

GaTe

MP-ID

mp-10009

Elements

Sites

Density

5.1550

g/cm³

Volume

254.25

Å³

Cell a

4.0935

Cell b

4.0935

Cell c

17.5200

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
10.10	8.7600	14.3	(0,0,0,2)
20.27	4.3800	100.0	(0,0,0,4)
25.12	3.5451	35.9	(1,-1,0,0)
25.12	3.5451	35.9	(1,0,-1,0)
25.12	3.5451	35.9	(0,1,-1,0)
29.47	3.0305	30.4	(1,-1,0,-3)
29.47	3.0305	30.4	(0,1,-1,3)
29.47	3.0305	30.4	(1,0,-1,-3)
29.48	3.0304	30.4	(1,0,-1,3)
29.48	3.0304	30.4	(0,1,-1,-3)
29.48	3.0304	30.4	(1,-1,0,3)
32.49	2.7557	7.6	(1,-1,0,-4)
32.49	2.7556	7.6	(0,1,-1,4)
32.49	2.7556	7.6	(1,0,-1,-4)
32.49	2.7556	7.6	(1,0,-1,4)
32.49	2.7556	7.6	(0,1,-1,-4)
32.49	2.7555	7.6	(1,-1,0,4)
44.25	2.0468	31.1	(2,-1,-1,0)
44.25	2.0468	31.1	(1,-2,1,0)
44.25	2.0468	31.1	(1,1,-2,0)
44.30	2.0447	23.1	(1,-1,0,-7)
44.30	2.0447	23.1	(0,1,-1,7)
44.30	2.0447	23.1	(1,0,-1,-7)
44.30	2.0446	23.1	(1,0,-1,7)

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Energy Properties

Formation Energy/atom

-0.43863

eV/atom

Energy/atom

-18.86863

eV/atom

Energy above Hull

0.0044

eV/atom

Uncorrected Energy

-18.8686

eV/atom

Volume/atom

31.78

Å³

c/a Ratio

4.2799

Electronic Properties

Metallic

Non-metal

Band Gap

0.785

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

11.919

GPa

G_VRH

8.821

GPa

Young's Modulus E

21.227

GPa

Poisson Ratio ν

0.203

Pugh Ratio K/G

1.351

Vickers Hardness Est.

2.026

GPa

Ductility

Ductile

Anisotropy

12.006

Lame λ

6.038

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

12.0060

Homogeneous Poisson ν

0.2030

Debye Temperature

192.0

Sound Velocity

1,444.6

m/s

Homogeneity

0.2030

Related Tasks

Related computation task IDs (5)

aaadnech aaaekxnw aaaenoea aaaeypsd aaafchzw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10009

Reference Citation

The crystal structure and related material properties of GaTe were obtained from the Materials Project database (MP-ID: mp-10009, 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_GaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09354091
_cell_length_b   4.09353285
_cell_length_c   17.52003126
_cell_angle_alpha   89.99694144
_cell_angle_beta   90.00287560
_cell_angle_gamma   120.00061459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTe
_chemical_formula_sum   'Ga4 Te4'
_cell_volume   254.24957317
_cell_formula_units_Z   4
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
  Ga  Ga0  1  0.33332844  0.66667568  0.18034483  1.0
  Ga  Ga1  1  0.66672019  0.33327708  0.68039516  1.0
  Ga  Ga2  1  0.66667210  0.33332527  0.81965498  1.0
  Ga  Ga3  1  0.33327914  0.66672180  0.31960484  1.0
  Te  Te4  1  0.33334633  0.66664340  0.89128270  1.0
  Te  Te5  1  0.66664541  0.33335539  0.39121493  1.0
  Te  Te6  1  0.66665563  0.33335927  0.10871645  1.0
  Te  Te7  1  0.33335277  0.66664110  0.60878512  1.0

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