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CdSb

Elasticity Data ELA

MP-ID: mp-1321 · Space group: Pbca (#61)

Basic Information

Formula
CdSb
MP-ID
mp-1321
Elements
2
Sites
16
Density
6.5991
g/cm³
Volume
471.40
ų
Cell a
8.3331
Å
Cell b
8.6483
Å
Cell c
6.5412
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pbca
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
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
20.54 4.3241 1.7 (0,2,0)
21.33 4.1666 23.7 (2,0,0)
23.70 3.7536 4.3 (2,1,0)
24.68 3.6072 16.2 (0,2,1)
26.93 3.3104 100.0 (1,2,1)
27.27 3.2706 11.4 (0,0,2)
27.39 3.2557 55.3 (2,1,1)
29.78 3.0004 1.2 (2,2,0)
31.14 2.8717 57.3 (1,1,2)
32.84 2.7272 12.5 (2,2,1)
35.70 2.5149 7.1 (1,3,1)
36.08 2.4894 1.7 (1,2,2)
36.44 2.4659 25.1 (2,1,2)
36.65 2.4518 11.5 (3,1,1)
37.95 2.3707 1.2 (2,3,0)
40.47 2.2288 8.3 (2,3,1)
41.01 2.2008 68.8 (3,2,1)
41.78 2.1621 29.4 (0,4,0)
42.71 2.1172 5.6 (3,0,2)
43.22 2.0933 37.4 (1,3,2)
43.44 2.0833 13.2 (4,0,0)
44.12 2.0528 3.7 (0,4,1)
44.20 2.0493 26.3 (1,1,3)
44.75 2.0253 3.4 (4,1,0)
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Energy Properties

Formation Energy/atom
-0.09587
eV/atom
Energy/atom
-23.00152
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.0015
eV/atom
Volume/atom
29.46
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.020
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
39.053
GPa
GVRH
18.412
GPa
Young's Modulus E
47.734
GPa
Poisson Ratio ν
0.296
Pugh Ratio K/G
2.121
Vickers Hardness Est.
1.561
GPa
Ductility
Brittle
Anisotropy
0.213
Lame λ
26.778
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cd · 0.500
Element Family
4d-TM
Solute Fraction
0.500
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2130
Homogeneous Poisson ν
0.2960
Debye Temperature
179.7
K
Sound Velocity
1,864.9
m/s
Homogeneity
0.2960

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1321
Reference Citation

The crystal structure and related material properties of CdSb were obtained from the Materials Project database (MP-ID: mp-1321, 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_CdSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33310615
_cell_length_b   8.64824985
_cell_length_c   6.54114516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSb
_chemical_formula_sum   'Cd8 Sb8'
_cell_volume   471.39929544
_cell_formula_units_Z   8
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  0.38069125  0.13458219  0.95252694  1.0
  Cd  Cd1  1  0.88069125  0.36541781  0.04747306  1.0
  Cd  Cd2  1  0.61930875  0.63458219  0.54747306  1.0
  Cd  Cd3  1  0.11930875  0.86541781  0.45252694  1.0
  Cd  Cd4  1  0.61930875  0.86541781  0.04747306  1.0
  Cd  Cd5  1  0.11930875  0.63458219  0.95252694  1.0
  Cd  Cd6  1  0.38069125  0.36541781  0.45252694  1.0
  Cd  Cd7  1  0.88069125  0.13458219  0.54747306  1.0
  Sb  Sb8  1  0.07515966  0.10230026  0.13868721  1.0
  Sb  Sb9  1  0.57515966  0.39769974  0.86131279  1.0
  Sb  Sb10  1  0.92484034  0.60230026  0.36131279  1.0
  Sb  Sb11  1  0.42484034  0.89769974  0.63868721  1.0
  Sb  Sb12  1  0.92484034  0.89769974  0.86131279  1.0
  Sb  Sb13  1  0.42484034  0.60230026  0.13868721  1.0
  Sb  Sb14  1  0.07515966  0.39769974  0.63868721  1.0
  Sb  Sb15  1  0.57515966  0.10230026  0.36131279  1.0
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