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CoSbS

Elasticity Data ELA

MP-ID: mp-5881 · Space group: Pbca (#61)

Basic Information

Formula
CoSbS
MP-ID
mp-5881
Elements
3
Sites
24
Density
7.0230
g/cm³
Volume
402.44
ų
Cell a
5.8227
Å
Cell b
5.9447
Å
Cell c
11.6263
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
15.24 5.8132 30.8 (0,0,2)
21.60 4.1139 21.0 (1,0,2)
26.35 3.3829 4.8 (1,1,2)
30.06 2.9724 5.4 (0,2,0)
30.71 2.9114 12.9 (2,0,0)
30.76 2.9066 21.1 (0,0,4)
31.06 2.8797 46.4 (0,2,1)
31.55 2.8355 47.2 (1,1,3)
33.87 2.6465 29.4 (0,2,2)
34.30 2.6147 1.2 (2,1,0)
34.49 2.6006 47.6 (1,0,4)
34.75 2.5813 9.0 (1,2,1)
35.18 2.5509 100.0 (2,1,1)
37.32 2.4093 29.6 (1,2,2)
37.73 2.3846 12.2 (2,1,2)
37.76 2.3826 2.5 (1,1,4)
41.30 2.1860 7.7 (1,2,3)
44.02 2.0570 7.7 (2,0,4)
44.24 2.0474 6.8 (2,2,1)
44.65 2.0297 39.5 (1,1,5)
46.39 1.9572 8.3 (1,2,4)
46.89 1.9377 3.2 (0,0,6)
49.20 1.8520 21.9 (1,3,1)
49.51 1.8410 2.8 (3,0,2)
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Energy Properties

Formation Energy/atom
-0.37053
eV/atom
Energy/atom
-16.02872
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-16.0287
eV/atom
Volume/atom
16.77
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
0.367
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
118.332
GPa
GVRH
79.673
GPa
Young's Modulus E
195.208
GPa
Poisson Ratio ν
0.225
Pugh Ratio K/G
1.485
Vickers Hardness Est.
13.304
GPa
Ductility
Ductile
Anisotropy
0.213
Lame λ
65.217
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.333
Element Family
3d-TM
Solute Fraction
0.667
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2130
Homogeneous Poisson ν
0.2250
Debye Temperature
433.6
K
Sound Velocity
3,728.6
m/s
Homogeneity
0.2250

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-5881
Reference Citation

The crystal structure and related material properties of CoSbS were obtained from the Materials Project database (MP-ID: mp-5881, 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_CoSbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82273515
_cell_length_b   5.94471784
_cell_length_c   11.62631546
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSbS
_chemical_formula_sum   'Co8 Sb8 S8'
_cell_volume   402.43930023
_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
  Co  Co0  1  0.01368848  0.16650839  0.38452652  1.0
  Co  Co1  1  0.01368848  0.33349161  0.88452652  1.0
  Co  Co2  1  0.48631152  0.66650839  0.38452652  1.0
  Co  Co3  1  0.98631152  0.83349161  0.61547348  1.0
  Co  Co4  1  0.51368848  0.33349161  0.61547348  1.0
  Co  Co5  1  0.48631152  0.83349161  0.88452652  1.0
  Co  Co6  1  0.98631152  0.66650839  0.11547348  1.0
  Co  Co7  1  0.51368848  0.16650839  0.11547348  1.0
  Sb  Sb8  1  0.11926556  0.05050463  0.17993640  1.0
  Sb  Sb9  1  0.61926556  0.44949537  0.82006360  1.0
  Sb  Sb10  1  0.88073444  0.55050463  0.32006360  1.0
  Sb  Sb11  1  0.38073444  0.94949537  0.67993640  1.0
  Sb  Sb12  1  0.88073444  0.94949537  0.82006360  1.0
  Sb  Sb13  1  0.38073444  0.55050463  0.17993640  1.0
  Sb  Sb14  1  0.11926556  0.44949537  0.67993640  1.0
  Sb  Sb15  1  0.61926556  0.05050463  0.32006360  1.0
  S  S16  1  0.63260880  0.68740888  0.56532139  1.0
  S  S17  1  0.86739120  0.31259112  0.06532139  1.0
  S  S18  1  0.36739120  0.18740888  0.93467861  1.0
  S  S19  1  0.13260880  0.81259112  0.43467861  1.0
  S  S20  1  0.13260880  0.68740888  0.93467861  1.0
  S  S21  1  0.63260880  0.81259112  0.06532139  1.0
  S  S22  1  0.86739120  0.18740888  0.56532139  1.0
  S  S23  1  0.36739120  0.31259112  0.43467861  1.0
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