LiGe

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-9918 · Space group: I4_1/a (#88)

Materials Project API

Basic Information

Formula

LiGe

MP-ID

mp-9918

Elements

Sites

Density

3.8867

g/cm³

Volume

272.00

Å³

Cell a

5.7439

Cell b

7.4567

Cell c

7.4567

α Angle

81.47

β Angle

67.35

γ Angle

67.35

Space Group

I4_1/a

Point Group

4/m

Crystal System

Tetragonal

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
17.93	4.9466	16.6	(1,0,0)
18.23	4.8659	17.9	(0,1,1)
25.68	3.4689	100.0	(1,0,-1)
25.89	3.4407	1.7	(0,2,0)
25.89	3.4407	1.7	(0,0,2)
33.82	2.6504	2.0	(2,1,0)
33.82	2.6504	5.9	(2,0,1)
36.79	2.4429	4.2	(1,0,-2)
36.79	2.4429	1.4	(1,1,3)
36.95	2.4330	5.4	(0,2,2)
41.36	2.1832	4.3	(1,-1,-2)
41.36	2.1832	1.4	(1,2,3)
41.50	2.1761	31.9	(0,3,1)
43.08	2.0997	27.1	(2,0,-1)
43.08	2.0997	28.1	(2,3,0)
49.44	1.8434	20.7	(1,-2,-2)
49.44	1.8434	12.2	(1,3,3)
50.95	1.7923	2.0	(2,1,-2)
52.19	1.7525	3.1	(3,1,0)
52.19	1.7525	8.3	(3,2,0)
52.19	1.7525	3.8	(3,1,3)
53.13	1.7239	2.3	(1,-1,-3)
60.13	1.5387	5.0	(0,4,2)
60.13	1.5387	5.0	(0,2,4)

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Energy Properties

Formation Energy/atom

-0.28080

eV/atom

Energy/atom

-3.54678

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-8.4482

eV/atom

Volume/atom

17.00

Å³

c/a Ratio

1.2982

Electronic Properties

Metallic

Metal

Band Gap

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

39.993

GPa

G_VRH

21.135

GPa

Young's Modulus E

53.909

GPa

Poisson Ratio ν

0.275

Pugh Ratio K/G

1.892

Vickers Hardness Est.

2.651

GPa

Ductility

Brittle

Anisotropy

0.416

Lame λ

25.903

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Li · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

Li · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4160

Homogeneous Poisson ν

0.2750

Debye Temperature

300.6

Sound Velocity

2,596.7

m/s

Homogeneity

0.2750

Related Tasks

Related computation task IDs (3)

aaacaqzl aaadrafn aaaelkrk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9918

Reference Citation

The crystal structure and related material properties of LiGe were obtained from the Materials Project database (MP-ID: mp-9918, 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…

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Raw CIF Data

# generated using pymatgen
data_LiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74386891
_cell_length_b   7.45671376
_cell_length_c   7.45671242
_cell_angle_alpha   81.46934635
_cell_angle_beta   67.34711546
_cell_angle_gamma   67.34710862
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGe
_chemical_formula_sum   'Li8 Ge8'
_cell_volume   271.99843956
_cell_formula_units_Z   8
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
  Li  Li0  1  0.45981200  0.19363439  0.53445183  1.0
  Li  Li1  1  0.99426383  0.96554817  0.19363439  1.0
  Li  Li2  1  0.15344538  0.53445183  0.30636561  1.0
  Li  Li3  1  0.18789722  0.30636561  0.96554817  1.0
  Li  Li4  1  0.54018800  0.80636561  0.46554817  1.0
  Li  Li5  1  0.00573617  0.03445183  0.80636561  1.0
  Li  Li6  1  0.84655462  0.46554817  0.69363439  1.0
  Li  Li7  1  0.81210278  0.69363439  0.03445183  1.0
  Ge  Ge8  1  0.05765561  0.15914667  0.44463755  1.0
  Ge  Ge9  1  0.50229417  0.05536245  0.15914667  1.0
  Ge  Ge10  1  0.71680429  0.44463755  0.34085333  1.0
  Ge  Ge11  1  0.66144184  0.34085333  0.05536245  1.0
  Ge  Ge12  1  0.94234439  0.84085333  0.55536245  1.0
  Ge  Ge13  1  0.49770583  0.94463755  0.84085333  1.0
  Ge  Ge14  1  0.28319571  0.55536245  0.65914667  1.0
  Ge  Ge15  1  0.33855816  0.65914667  0.94463755  1.0

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