GaGeTe

Elasticity Data ELA

MP-ID: mp-8211 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

GaGeTe

MP-ID

mp-8211

Elements

Sites

Density

5.2005

g/cm³

Volume

172.40

Å³

Cell a

12.2330

Cell b

12.2330

Cell c

12.2330

α Angle

19.16

β Angle

19.16

γ Angle

19.16

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
7.36	12.0049	6.0	(1,1,1)
14.76	6.0025	21.3	(2,2,2)
22.22	4.0016	75.2	(3,3,3)
25.38	3.5098	13.6	(1,0,0)
25.38	3.5098	6.8	(0,0,1)
25.74	3.4609	40.2	(1,0,1)
25.74	3.4609	20.1	(1,1,0)
27.16	3.2837	20.6	(2,1,1)
28.17	3.1674	100.0	(2,1,2)
28.17	3.1673	50.0	(2,2,1)
29.77	3.0012	2.0	(4,4,4)
30.74	2.9089	8.0	(3,2,2)
32.24	2.7762	38.2	(3,3,2)
35.63	2.5197	1.4	(4,3,3)
37.48	2.3994	5.2	(4,4,3)
41.45	2.1786	23.6	(5,4,4)
43.55	2.0783	84.8	(5,5,4)
44.50	2.0361	32.4	(1,-1,0)
44.50	2.0361	64.7	(1,0,-1)
45.33	2.0008	2.5	(6,6,6)
47.13	1.9282	2.2	(3,1,2)
47.13	1.9282	4.4	(3,2,1)
47.95	1.8974	26.5	(6,5,5)
50.28	1.8147	49.4	(4,3,2)

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Energy Properties

Formation Energy/atom

-0.29643

eV/atom

Energy/atom

-17.20709

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-17.2071

eV/atom

Volume/atom

28.73

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.167

Direct Gap

Yes

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

15.227

GPa

G_VRH

10.596

GPa

Young's Modulus E

25.803

GPa

Poisson Ratio ν

0.218

Pugh Ratio K/G

1.437

Vickers Hardness Est.

2.206

GPa

Ductility

Ductile

Anisotropy

16.110

Lame λ

8.163

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ga · 0.333

Element Family

PostTransition-Noble

Solute Fraction

0.667

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

16.1100

Homogeneous Poisson ν

0.2180

Debye Temperature

189.9

Sound Velocity

1,578.9

m/s

Homogeneity

0.2180

Related Tasks

Related computation task IDs (6)

aaacmwql aaadmlkc aaadremv aaaelqfn aaaeuwrj aaafxdcy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8211

Reference Citation

The crystal structure and related material properties of GaGeTe were obtained from the Materials Project database (MP-ID: mp-8211, 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_GaGeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.23296087
_cell_length_b   12.23296087
_cell_length_c   12.23296084
_cell_angle_alpha   19.16206431
_cell_angle_beta   19.16206431
_cell_angle_gamma   19.16206682
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeTe
_chemical_formula_sum   'Ga2 Ge2 Te2'
_cell_volume   172.40117105
_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
  Ga  Ga0  1  0.25459297  0.25459297  0.25459297  1.0
  Ga  Ga1  1  0.74540703  0.74540703  0.74540703  1.0
  Ge  Ge2  1  0.32223687  0.32223687  0.32223687  1.0
  Ge  Ge3  1  0.67776313  0.67776313  0.67776313  1.0
  Te  Te4  1  0.11363475  0.11363475  0.11363475  1.0
  Te  Te5  1  0.88636525  0.88636525  0.88636525  1.0

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