ZnGeO3

Elasticity Data ELA

MP-ID: mp-8285 · Space group: R-3 (#148)

Materials Project API

Basic Information

Formula

ZnGeO3

MP-ID

mp-8285

Elements

Sites

Density

5.9707

g/cm³

Volume

103.49

Å³

Cell a

5.5246

Cell b

5.5246

Cell c

5.5246

α Angle

54.34

β Angle

54.34

γ Angle

54.34

Space Group

R-3

Point Group

-3

Crystal System

Trigonal

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 24)

2θ	d (Å)	I	hkl
18.90	4.6942	5.8	(1,1,1)
23.97	3.7127	26.4	(1,1,0)
32.66	2.7415	100.0	(2,1,1)
35.59	2.5227	85.1	(1,0,-1)
38.01	2.3673	12.3	(2,2,1)
38.35	2.3471	2.5	(2,2,2)
40.60	2.2221	13.1	(2,1,0)
41.84	2.1589	1.0	(1,1,-1)
43.37	2.0866	1.9	(2,0,0)
49.08	1.8563	37.5	(2,2,0)
53.05	1.7263	6.4	(3,1,1)
53.31	1.7184	39.4	(3,2,1)
56.35	1.6328	7.4	(3,3,2)
57.30	1.6079	3.0	(2,1,-1)
59.03	1.5647	2.4	(3,3,3)
62.08	1.4952	33.6	(3,1,0)
63.92	1.4565	30.9	(2,-1,-1)
65.52	1.4246	5.1	(3,2,0)
68.45	1.3707	2.5	(4,2,2)
70.22	1.3404	7.4	(4,3,3)
70.87	1.3297	14.7	(4,3,2)
75.35	1.2613	10.3	(2,0,-2)
77.06	1.2376	3.9	(4,1,1)
77.73	1.2286	1.5	(4,4,3)

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Energy Properties

Formation Energy/atom

-1.96639

eV/atom

Energy/atom

-6.11172

eV/atom

Energy above Hull

0.0591

eV/atom

Uncorrected Energy

-5.6995

eV/atom

Volume/atom

10.35

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

2.126

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

163.128

GPa

G_VRH

42.095

GPa

Young's Modulus E

116.283

GPa

Poisson Ratio ν

0.381

Pugh Ratio K/G

3.875

Vickers Hardness Est.

0.655

GPa

Ductility

Brittle

Anisotropy

6.775

Lame λ

135.065

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

6.7750

Homogeneous Poisson ν

0.3810

Debye Temperature

452.3

Sound Velocity

2,998.0

m/s

Homogeneity

0.3810

Related Tasks

Related computation task IDs (5)

aaabniqm aaaddena aaadsnij aaaeumcw aaafihzy

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8285

Reference Citation

The crystal structure and related material properties of ZnGeO3 were obtained from the Materials Project database (MP-ID: mp-8285, 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_ZnGeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52456300
_cell_length_b   5.52456300
_cell_length_c   5.52456282
_cell_angle_alpha   54.33987945
_cell_angle_beta   54.33987945
_cell_angle_gamma   54.33987931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeO3
_chemical_formula_sum   'Zn2 Ge2 O6'
_cell_volume   103.48547026
_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
  Zn  Zn0  1  0.63163300  0.63163300  0.63163300  1.0
  Zn  Zn1  1  0.36836700  0.36836700  0.36836700  1.0
  Ge  Ge2  1  0.84365300  0.84365300  0.84365300  1.0
  Ge  Ge3  1  0.15634700  0.15634700  0.15634700  1.0
  O  O4  1  0.56093300  0.95362800  0.21418200  1.0
  O  O5  1  0.95362800  0.21418200  0.56093300  1.0
  O  O6  1  0.21418200  0.56093300  0.95362800  1.0
  O  O7  1  0.43906700  0.04637200  0.78581800  1.0
  O  O8  1  0.78581800  0.43906700  0.04637200  1.0
  O  O9  1  0.04637200  0.78581800  0.43906700  1.0

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