Ge2Mo

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-10201 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Ge2Mo

MP-ID

mp-10201

Elements

Sites

Density

8.8772

g/cm³

Volume

45.12

Å³

Cell a

3.3202

Cell b

3.3202

Cell c

4.7187

α Angle

110.60

β Angle

110.60

γ Angle

90.00

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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 20)

2θ	d (Å)	I	hkl
21.71	4.0932	4.9	(0,0,1)
29.02	3.0768	1.7	(1,0,-1)
29.02	3.0768	1.7	(1,0,0)
38.34	2.3477	69.5	(1,1,-1)
38.34	2.3477	69.5	(1,-1,0)
42.90	2.1082	100.0	(1,0,-2)
42.90	2.1082	100.0	(1,0,1)
44.49	2.0365	1.3	(1,-1,1)
55.34	1.6601	46.5	(2,0,-1)
68.81	1.3644	11.7	(0,0,3)
72.47	1.3043	10.2	(1,2,-3)
72.47	1.3043	10.2	(2,1,-3)
72.47	1.3043	20.4	(2,-1,-2)
72.47	1.3043	20.4	(2,-1,1)
72.47	1.3043	20.4	(2,1,0)
81.61	1.1797	7.3	(1,1,-4)
81.61	1.1797	14.7	(1,-1,3)
81.61	1.1797	7.3	(1,1,2)
82.10	1.1739	7.4	(2,2,-2)
82.10	1.1739	7.4	(2,-2,0)

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Energy Properties

Formation Energy/atom

-0.10557

eV/atom

Energy/atom

-18.04421

eV/atom

Energy above Hull

0.0453

eV/atom

Uncorrected Energy

-18.0442

eV/atom

Volume/atom

15.04

Å³

c/a Ratio

1.4212

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

171.888

GPa

G_VRH

138.022

GPa

Young's Modulus E

326.638

GPa

Poisson Ratio ν

0.183

Pugh Ratio K/G

1.245

Vickers Hardness Est.

24.631

GPa

Ductility

Ductile

Anisotropy

0.088

Lame λ

79.873

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 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

0.672

Family

Binary Alloy

Matrix Element

Ge · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0880

Homogeneous Poisson ν

0.1830

Debye Temperature

524.0

Sound Velocity

4,345.4

m/s

Homogeneity

0.1830

Related Tasks

Related computation task IDs (5)

aaadmpah aaaemotl aaaeuwlo aaafatux aaafbyot

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10201

Reference Citation

The crystal structure and related material properties of Ge2Mo were obtained from the Materials Project database (MP-ID: mp-10201, 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_Ge2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32019282
_cell_length_b   3.32019304
_cell_length_c   4.71869186
_cell_angle_alpha   110.59825937
_cell_angle_beta   110.59825886
_cell_angle_gamma   89.99999753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Mo
_chemical_formula_sum   'Ge2 Mo1'
_cell_volume   45.12201748
_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  0.66167329  0.66167329  0.32334858  1.0
  Ge  Ge1  1  0.33832671  0.33832671  0.67665142  1.0
  Mo  Mo2  1  0.00000000  0.00000000  -0.00000000  1.0

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