Cd(SbO3)2

Elasticity Data ELA

MP-ID: mp-8922 · Space group: P-31m (#162)

Materials Project API

Basic Information

Formula

Cd(SbO3)2

MP-ID

mp-8922

Elements

Sites

Density

6.4868

g/cm³

Volume

115.69

Å³

Cell a

5.2633

Cell b

5.2633

Cell c

4.8221

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-31m

Point Group

-3m

Crystal System

Trigonal

Bravais Lattice

Stability

Yes

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
18.40	4.8221	23.5	(0,0,0,1)
26.92	3.3125	50.0	(0,1,-1,1)
26.92	3.3125	100.0	(1,0,-1,1)
34.07	2.6317	67.8	(2,-1,-1,0)
37.29	2.4111	12.9	(0,0,0,2)
38.99	2.3100	20.2	(2,-1,-1,1)
43.94	2.0605	37.3	(2,0,-2,1)
51.40	1.7778	45.5	(1,1,-2,2)
51.40	1.7778	22.8	(2,-1,-1,2)
56.74	1.6224	23.7	(2,1,-3,1)
56.74	1.6224	11.9	(3,-1,-2,1)
60.98	1.5194	23.3	(3,0,-3,0)
61.14	1.5159	13.5	(1,0,-1,3)
64.28	1.4492	1.4	(0,3,-3,1)
64.28	1.4492	2.9	(3,0,-3,1)
68.39	1.3718	4.5	(2,-1,-1,3)
71.73	1.3158	8.4	(4,-2,-2,0)
71.87	1.3136	9.2	(2,0,-2,3)
73.70	1.2854	12.7	(3,0,-3,2)
74.79	1.2694	1.7	(2,2,-4,1)
78.16	1.2229	14.1	(4,-1,-3,1)
79.51	1.2055	3.3	(0,0,0,4)
81.98	1.1753	12.2	(3,-1,-2,3)
83.74	1.1550	15.3	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-1.84252

eV/atom

Energy/atom

-6.16539

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.5119

eV/atom

Volume/atom

12.85

Å³

c/a Ratio

0.9162

Electronic Properties

Metallic

Non-metal

Band Gap

1.426

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

107.992

GPa

G_VRH

47.314

GPa

Young's Modulus E

123.854

GPa

Poisson Ratio ν

0.309

Pugh Ratio K/G

2.282

Vickers Hardness Est.

4.271

GPa

Ductility

Brittle

Anisotropy

1.030

Lame λ

76.449

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.0300

Homogeneous Poisson ν

0.3090

Debye Temperature

415.5

Sound Velocity

3,020.0

m/s

Homogeneity

0.3090

Related Tasks

Related computation task IDs (7)

aaabneks aaacmwsj aaaembmw aaaeniow aaaeywgp aaafscrs aaagbndz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8922

Reference Citation

The crystal structure and related material properties of Cd(SbO3)2 were obtained from the Materials Project database (MP-ID: mp-8922, 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_Cd(SbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26329933
_cell_length_b   5.26329973
_cell_length_c   4.82214080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd(SbO3)2
_chemical_formula_sum   'Cd1 Sb2 O6'
_cell_volume   115.68757081
_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
  Cd  Cd0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Sb  Sb1  1  0.33333300  0.66666700  0.50000000  1.0
  Sb  Sb2  1  0.66666700  0.33333300  0.50000000  1.0
  O  O3  1  0.36588076  0.36588076  0.72380388  1.0
  O  O4  1  0.63411924  -0.00000000  0.72380388  1.0
  O  O5  1  0.00000000  0.63411924  0.72380388  1.0
  O  O6  1  0.36588076  -0.00000000  0.27619612  1.0
  O  O7  1  -0.00000000  0.36588076  0.27619612  1.0
  O  O8  1  0.63411924  0.63411924  0.27619612  1.0

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