Ge2O3

Elasticity Data ELA

MP-ID: mp-982048 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Ge2O3

MP-ID

mp-982048

Elements

Sites

Density

6.1632

g/cm³

Volume

52.07

Å³

Cell a

3.7343

Cell b

3.7343

Cell c

3.7343

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 7)

2θ	d (Å)	I	hkl
23.83	3.7343	2.3	(1,0,0)
33.95	2.6406	100.0	(1,1,0)
41.90	2.1560	4.6	(1,1,1)
48.77	1.8672	37.6	(2,0,0)
60.75	1.5245	38.1	(2,1,1)
71.45	1.3203	21.6	(2,2,0)
81.51	1.1809	16.6	(3,1,0)

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Energy Properties

Formation Energy/atom

-1.48690

eV/atom

Energy/atom

-6.30488

eV/atom

Energy above Hull

0.4541

eV/atom

Uncorrected Energy

-10.3016

eV/atom

Volume/atom

10.41

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.682

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

178.568

GPa

G_VRH

103.527

GPa

Young's Modulus E

260.281

GPa

Poisson Ratio ν

0.257

Pugh Ratio K/G

1.725

Vickers Hardness Est.

12.953

GPa

Ductility

Ductile

Anisotropy

0.158

Lame λ

109.550

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1580

Homogeneous Poisson ν

0.2570

Debye Temperature

682.7

Sound Velocity

4,553.9

m/s

Homogeneity

0.2570

Related Tasks

Related computation task IDs (5)

aaadobvo aaadwmzm aaaegwdd aaaeopsp aaafcxdb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-982048

Reference Citation

The crystal structure and related material properties of Ge2O3 were obtained from the Materials Project database (MP-ID: mp-982048, 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_Ge2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73429461
_cell_length_b   3.73429461
_cell_length_c   3.73429461
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2O3
_chemical_formula_sum   'Ge2 O3'
_cell_volume   52.07457490
_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  -0.00000000  0.00000000  -0.00000000  1.0
  Ge  Ge1  1  0.50000200  0.50000200  0.50000200  1.0
  O  O2  1  0.50000200  0.50000200  0.00000000  1.0
  O  O3  1  0.50000200  -0.00000000  0.50000200  1.0
  O  O4  1  -0.00000000  0.50000200  0.50000200  1.0

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