Li2GeN2

Elasticity Data ELA

MP-ID: mp-1029776 · Space group: P2_1/c (#14)

Materials Project API

Basic Information

Formula

Li2GeN2

MP-ID

mp-1029776

Elements

Sites

Density

3.6621

g/cm³

Volume

207.74

Å³

Cell a

6.6841

Cell b

5.5493

Cell c

5.6054

α Angle

87.66

β Angle

90.00

γ Angle

90.00

Space Group

P2_1/c

Point Group

2/m

Crystal System

Monoclinic

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
15.82	5.6008	93.6	(0,0,1)
20.69	4.2929	100.0	(1,0,1)
20.82	4.2675	92.3	(1,1,0)
25.85	3.4470	67.1	(1,1,1)
26.66	3.3442	2.7	(1,1,-1)
26.67	3.3420	3.7	(2,0,0)
31.25	2.8623	35.5	(2,1,0)
31.96	2.8004	19.1	(0,0,2)
32.29	2.7723	26.9	(0,2,0)
34.73	2.5829	29.3	(1,0,2)
34.90	2.5708	1.3	(2,1,1)
35.04	2.5608	21.1	(1,2,0)
35.52	2.5273	47.2	(2,1,-1)
35.54	2.5259	29.1	(0,2,1)
39.02	2.3083	7.3	(1,1,-2)
39.23	2.2964	26.0	(1,2,-1)
43.73	2.0702	3.6	(3,0,1)
43.79	2.0674	20.9	(3,1,0)
44.80	2.0231	49.6	(2,1,2)
45.07	2.0116	3.1	(0,2,2)
45.81	1.9810	7.9	(2,1,-2)
46.60	1.9491	26.3	(3,1,1)
47.06	1.9312	23.6	(0,2,-2)
47.18	1.9263	5.3	(1,2,2)

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Energy Properties

Formation Energy/atom

-0.56824

eV/atom

Energy/atom

-5.59173

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-5.4473

eV/atom

Volume/atom

10.39

Å³

c/a Ratio

0.8386

Electronic Properties

Metallic

Non-metal

Band Gap

2.689

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0007

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

83.069

GPa

G_VRH

43.636

GPa

Young's Modulus E

111.402

GPa

Poisson Ratio ν

0.276

Pugh Ratio K/G

1.904

Vickers Hardness Est.

5.575

GPa

Ductility

Brittle

Anisotropy

2.987

Lame λ

53.978

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Li · 0.400

Element Family

Alkali-AlkEarth

Solute Fraction

0.600

Interstitial Fraction

0.400

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.9870

Homogeneous Poisson ν

0.2760

Debye Temperature

524.4

Sound Velocity

3,844.4

m/s

Homogeneity

0.2760

Related Tasks

Related computation task IDs (3)

aaacgpkm aaaclrgw aaaeafnm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1029776

Reference Citation

The crystal structure and related material properties of Li2GeN2 were obtained from the Materials Project database (MP-ID: mp-1029776, 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_Li2GeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68407100
_cell_length_b   5.54928800
_cell_length_c   5.60542128
_cell_angle_alpha   87.66272853
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GeN2
_chemical_formula_sum   'Li8 Ge4 N8'
_cell_volume   207.74239156
_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
  Li  Li0  1  0.59723700  0.09309600  0.31657700  1.0
  Li  Li1  1  0.09723700  0.40690400  0.68342300  1.0
  Li  Li2  1  0.40276300  0.90690400  0.68342300  1.0
  Li  Li3  1  0.90276300  0.59309600  0.31657700  1.0
  Li  Li4  1  0.83669400  0.27339800  0.05398000  1.0
  Li  Li5  1  0.33669400  0.22660200  0.94602000  1.0
  Li  Li6  1  0.16330600  0.72660200  0.94602000  1.0
  Li  Li7  1  0.66330600  0.77339800  0.05398000  1.0
  Ge  Ge8  1  0.63771000  0.42549900  0.65007100  1.0
  Ge  Ge9  1  0.13771000  0.07450100  0.34992900  1.0
  Ge  Ge10  1  0.36229000  0.57450100  0.34992900  1.0
  Ge  Ge11  1  0.86229000  0.92549900  0.65007100  1.0
  N  N12  1  0.14884700  0.39636600  0.22856200  1.0
  N  N13  1  0.64884700  0.10363400  0.77143800  1.0
  N  N14  1  0.85115300  0.60363400  0.77143800  1.0
  N  N15  1  0.35115300  0.89636600  0.22856200  1.0
  N  N16  1  0.62236300  0.45051100  0.30310000  1.0
  N  N17  1  0.12236300  0.04948900  0.69690000  1.0
  N  N18  1  0.37763700  0.54948900  0.69690000  1.0
  N  N19  1  0.87763700  0.95051100  0.30310000  1.0

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