GeTe

Elasticity Data ELA

MP-ID: mp-938 · Space group: R3m (#160)

Materials Project API

Basic Information

Formula

GeTe

MP-ID

mp-938

Elements

Sites

Density

5.9473

g/cm³

Volume

55.91

Å³

Cell a

4.4028

Cell b

4.4028

Cell c

4.4028

α Angle

56.81

β Angle

56.81

γ Angle

56.81

Space Group

R3m

Point Group

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
24.19	3.6790	14.4	(1,1,1)
25.85	3.4464	5.2	(1,0,0)
25.85	3.4464	10.5	(0,1,0)
29.47	3.0314	50.0	(1,1,0)
29.47	3.0314	100.0	(1,0,1)
41.10	2.1962	17.3	(2,1,1)
41.10	2.1962	17.3	(1,2,1)
41.10	2.1962	17.3	(1,1,2)
43.19	2.0945	36.7	(1,0,-1)
43.19	2.0945	18.4	(0,1,-1)
48.26	1.8858	4.5	(2,2,1)
48.26	1.8858	8.9	(2,1,2)
49.55	1.8395	7.6	(2,2,2)
50.12	1.8202	2.0	(2,1,0)
50.12	1.8202	7.9	(2,0,1)
50.12	1.8202	2.0	(1,0,2)
51.03	1.7899	1.6	(1,1,-1)
53.15	1.7232	9.4	(2,0,0)
53.15	1.7232	18.8	(0,2,0)
61.14	1.5157	5.3	(2,2,0)
61.14	1.5157	5.3	(0,2,2)
61.14	1.5157	5.3	(2,0,2)
64.43	1.4461	6.0	(3,2,2)
64.43	1.4461	3.0	(2,2,3)

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Energy Properties

Formation Energy/atom

-0.03547

eV/atom

Energy/atom

-19.68007

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.6801

eV/atom

Volume/atom

27.95

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.565

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

33.016

GPa

G_VRH

20.165

GPa

Young's Modulus E

50.262

GPa

Poisson Ratio ν

0.246

Pugh Ratio K/G

1.637

Vickers Hardness Est.

3.512

GPa

Ductility

Ductile

Anisotropy

2.953

Lame λ

19.573

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.9530

Homogeneous Poisson ν

0.2460

Debye Temperature

281.0

Sound Velocity

2,043.4

m/s

Homogeneity

0.2460

Related Tasks

Related computation task IDs (7)

aaacidxu aaacmypk aaadqyro aaaegreq aaaeuusj aaafxhzc aaagbmxu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-938

Reference Citation

The crystal structure and related material properties of GeTe were obtained from the Materials Project database (MP-ID: mp-938, 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_GeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40277633
_cell_length_b   4.40277602
_cell_length_c   4.40277502
_cell_angle_alpha   56.81262634
_cell_angle_beta   56.81263336
_cell_angle_gamma   56.81261992
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTe
_chemical_formula_sum   'Ge1 Te1'
_cell_volume   55.90896881
_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
  Ge  Ge0  1  0.99222319  0.99222319  0.99222319  1.0
  Te  Te1  1  0.52877681  0.52877681  0.52877681  1.0

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