CdGeO3

Elasticity Data ELA

MP-ID: mp-8275 · Space group: R-3 (#148)

Materials Project API

Basic Information

Formula

CdGeO3

MP-ID

mp-8275

Elements

Sites

Density

6.5130

g/cm³

Volume

118.84

Å³

Cell a

5.9040

Cell b

5.9040

Cell c

5.9040

α Angle

52.20

β Angle

52.20

γ Angle

52.20

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
20.58	4.3148	10.9	(1,0,0)
22.95	3.8749	17.2	(1,0,1)
22.95	3.8749	8.6	(1,1,0)
30.73	2.9092	40.3	(1,1,2)
30.73	2.9092	80.6	(2,1,1)
34.53	2.5972	100.0	(1,0,-1)
35.30	2.5428	4.1	(2,2,2)
35.55	2.5253	13.4	(2,1,2)
35.55	2.5253	6.7	(2,2,1)
38.94	2.3130	6.0	(2,0,1)
38.94	2.3130	3.0	(2,1,0)
40.54	2.2252	4.6	(1,-1,1)
40.54	2.2252	2.3	(1,1,-1)
41.87	2.1574	1.6	(2,0,0)
46.29	1.9615	4.6	(3,2,2)
46.89	1.9375	27.5	(2,0,2)
46.89	1.9375	13.8	(2,2,0)
50.21	1.8170	24.5	(3,1,2)
50.21	1.8170	12.3	(3,2,1)
50.40	1.8105	3.4	(1,1,3)
50.40	1.8105	6.8	(3,1,1)
52.09	1.7558	11.0	(3,3,2)
54.10	1.6952	2.2	(3,3,3)
54.29	1.6898	1.6	(2,0,-1)

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Energy Properties

Formation Energy/atom

-1.83617

eV/atom

Energy/atom

-5.92155

eV/atom

Energy above Hull

0.0440

eV/atom

Uncorrected Energy

-5.5094

eV/atom

Volume/atom

11.88

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

1.427

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

147.362

GPa

G_VRH

45.555

GPa

Young's Modulus E

123.898

GPa

Poisson Ratio ν

0.360

Pugh Ratio K/G

3.235

Vickers Hardness Est.

1.729

GPa

Ductility

Brittle

Anisotropy

2.313

Lame λ

116.992

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

2.3130

Homogeneous Poisson ν

0.3600

Debye Temperature

419.4

Sound Velocity

2,977.5

m/s

Homogeneity

0.3600

Related Tasks

Related computation task IDs (5)

aaaddpxd aaadmuhh aaadsyyk aaaenksy aaafxhxl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8275

Reference Citation

The crystal structure and related material properties of CdGeO3 were obtained from the Materials Project database (MP-ID: mp-8275, 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_CdGeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90404287
_cell_length_b   5.90404287
_cell_length_c   5.90404356
_cell_angle_alpha   52.19537208
_cell_angle_beta   52.19537208
_cell_angle_gamma   52.19538096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeO3
_chemical_formula_sum   'Cd2 Ge2 O6'
_cell_volume   118.83630559
_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
  Cd  Cd0  1  0.63257200  0.63257200  0.63257200  1.0
  Cd  Cd1  1  0.36742800  0.36742800  0.36742800  1.0
  Ge  Ge2  1  0.84046800  0.84046800  0.84046800  1.0
  Ge  Ge3  1  0.15953200  0.15953200  0.15953200  1.0
  O  O4  1  0.81224500  0.03495300  0.43968800  1.0
  O  O5  1  0.43968800  0.81224500  0.03495300  1.0
  O  O6  1  0.03495300  0.43968800  0.81224500  1.0
  O  O7  1  0.18775500  0.96504700  0.56031200  1.0
  O  O8  1  0.96504700  0.56031200  0.18775500  1.0
  O  O9  1  0.56031200  0.18775500  0.96504700  1.0

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