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CdSO4

Elasticity Data ELA

MP-ID: mp-8459 · Space group: Cmcm (#63)

Basic Information

Formula
CdSO4
MP-ID
mp-8459
Elements
3
Sites
12
Density
4.4043
g/cm³
Volume
157.20
ų
Cell a
4.8906
Å
Cell b
4.8906
Å
Cell c
7.1838
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
113.81
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
19.84 4.4745 57.8 (1,0,0)
19.84 4.4745 57.8 (0,1,0)
21.69 4.0971 78.5 (1,-1,0)
23.42 3.7980 46.0 (1,0,1)
24.79 3.5919 20.1 (0,0,2)
25.02 3.5590 25.5 (1,-1,1)
31.95 2.8010 100.0 (1,0,2)
31.95 2.8010 100.0 (0,1,2)
33.17 2.7009 23.4 (1,-1,2)
33.56 2.6705 50.3 (1,1,0)
36.96 2.4318 76.6 (2,-1,0)
40.31 2.2372 6.7 (2,0,0)
42.17 2.1431 40.1 (1,1,2)
42.31 2.1360 2.5 (2,0,1)
43.79 2.0674 2.9 (1,-1,3)
44.21 2.0485 18.8 (2,-2,0)
45.02 2.0137 36.1 (2,-1,2)
47.90 1.8990 54.9 (2,0,2)
50.84 1.7959 17.9 (0,0,4)
51.35 1.7795 24.8 (2,-2,2)
52.61 1.7398 12.9 (2,1,0)
53.72 1.7063 4.7 (2,-1,3)
54.25 1.6909 2.7 (2,1,1)
55.10 1.6667 17.5 (1,0,4)
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Energy Properties

Formation Energy/atom
-1.82441
eV/atom
Energy/atom
-5.97262
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-10.2142
eV/atom
Volume/atom
13.10
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
2.870
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
62.326
GPa
GVRH
26.036
GPa
Young's Modulus E
68.561
GPa
Poisson Ratio ν
0.317
Pugh Ratio K/G
2.394
Vickers Hardness Est.
1.848
GPa
Ductility
Brittle
Anisotropy
0.362
Lame λ
44.969
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 AU
0.3620
Homogeneous Poisson ν
0.3170
Debye Temperature
388.3
K
Sound Velocity
2,721.6
m/s
Homogeneity
0.3170

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-8459
Reference Citation

The crystal structure and related material properties of CdSO4 were obtained from the Materials Project database (MP-ID: mp-8459, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_CdSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89057734
_cell_length_b   4.89057664
_cell_length_c   7.18375609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.80663794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSO4
_chemical_formula_sum   'Cd2 S2 O8'
_cell_volume   157.19963519
_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  -0.00000000  0.00000000  0.50000000  1.0
  Cd  Cd1  1  -0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.63816894  0.36183106  0.25000000  1.0
  S  S3  1  0.36183106  0.63816894  0.75000000  1.0
  O  O4  1  0.24205239  0.30382625  0.75000000  1.0
  O  O5  1  0.75794761  0.69617375  0.25000000  1.0
  O  O6  1  0.30382625  0.24205239  0.25000000  1.0
  O  O7  1  0.69617375  0.75794761  0.75000000  1.0
  O  O8  1  0.26639597  0.73360403  0.92104949  1.0
  O  O9  1  0.73360403  0.26639597  0.42104949  1.0
  O  O10  1  0.73360403  0.26639597  0.07895051  1.0
  O  O11  1  0.26639597  0.73360403  0.57895051  1.0
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