Mg2Ge

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018794 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Mg2Ge

MP-ID

mp-1018794

Elements

Sites

Density

3.3978

g/cm³

Volume

118.51

Å³

Cell a

4.7369

Cell b

4.7369

Cell c

6.0989

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
21.66	4.1022	16.1	(1,0,-1,0)
26.18	3.4039	40.7	(1,0,-1,1)
26.18	3.4039	20.3	(1,-1,0,1)
29.29	3.0494	23.8	(0,0,0,2)
36.72	2.4473	79.6	(1,0,-1,2)
37.99	2.3684	100.0	(2,-1,-1,0)
44.15	2.0511	2.5	(2,0,-2,0)
46.72	1.9441	12.8	(2,0,-2,1)
48.68	1.8705	34.4	(2,-1,-1,2)
50.08	1.8216	10.4	(1,0,-1,3)
53.87	1.7019	25.5	(2,0,-2,2)
59.63	1.5505	2.0	(3,-1,-2,0)
60.74	1.5247	8.1	(0,0,0,4)
61.73	1.5027	11.0	(3,-1,-2,1)
64.54	1.4439	4.8	(2,0,-2,3)
65.29	1.4292	1.6	(1,0,-1,4)
67.81	1.3821	24.8	(3,-1,-2,2)
68.64	1.3674	16.6	(3,0,-3,0)
73.93	1.2820	26.5	(2,-1,-1,4)
76.32	1.2477	8.8	(3,0,-3,2)
77.41	1.2329	5.8	(3,-1,-2,3)
81.23	1.1842	3.4	(2,2,-4,0)
81.23	1.1842	6.8	(4,-2,-2,0)
82.50	1.1692	2.5	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

-0.19108

eV/atom

Energy/atom

-7.59461

eV/atom

Energy above Hull

0.1528

eV/atom

Uncorrected Energy

-2.7240

eV/atom

Volume/atom

19.75

Å³

c/a Ratio

1.2875

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

48.583

GPa

G_VRH

15.766

GPa

Young's Modulus E

42.681

GPa

Poisson Ratio ν

0.354

Pugh Ratio K/G

3.082

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.072

Lame λ

38.072

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.766

Family

Mg-based Alloy

Matrix Element

Mg · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0720

Homogeneous Poisson ν

0.3540

Debye Temperature

266.8

Sound Velocity

2,423.0

m/s

Homogeneity

0.3540

Related Tasks

Related computation task IDs (2)

aaacgafa aaadedow

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018794

Reference Citation

The crystal structure and related material properties of Mg2Ge were obtained from the Materials Project database (MP-ID: mp-1018794, 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_Mg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73685992
_cell_length_b   4.73685992
_cell_length_c   6.09886800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Ge
_chemical_formula_sum   'Mg4 Ge2'
_cell_volume   118.51162522
_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
  Mg  Mg0  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg1  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg2  1  0.33333300  0.66666700  0.75000000  1.0
  Mg  Mg3  1  0.66666700  0.33333300  0.25000000  1.0
  Ge  Ge4  1  0.33333300  0.66666700  0.25000000  1.0
  Ge  Ge5  1  0.66666700  0.33333300  0.75000000  1.0

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