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Pb(ClO2)2

Elasticity Data ELA

MP-ID: mp-615141 · Space group: Ccce (#68)

Basic Information

Formula
Pb(ClO2)2
MP-ID
mp-615141
Elements
3
Sites
14
Density
4.6958
g/cm³
Volume
241.95
ų
Cell a
7.1545
Å
Cell b
7.1545
Å
Cell c
6.1134
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
129.36
°
Space Group
Ccce
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
No
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
13.69 6.4671 53.5 (1,-1,0)
21.67 4.1018 55.7 (1,0,1)
27.59 3.2336 4.9 (2,-2,0)
29.19 3.0599 19.7 (1,1,0)
29.22 3.0567 19.9 (0,0,2)
29.25 3.0534 100.0 (2,-1,1)
32.37 2.7659 11.5 (2,0,0)
32.40 2.7636 11.5 (1,-1,2)
35.63 2.5200 1.8 (2,0,1)
39.00 2.3092 1.2 (2,-1,2)
40.59 2.2225 10.5 (3,-1,0)
40.61 2.2213 10.4 (2,-2,2)
40.64 2.2201 16.1 (3,-2,1)
41.77 2.1625 18.5 (1,1,2)
41.91 2.1557 6.1 (3,-3,0)
44.16 2.0509 11.3 (2,0,2)
47.51 1.9137 13.3 (2,1,1)
47.55 1.9122 13.2 (1,0,3)
50.79 1.7976 8.7 (3,-1,2)
51.79 1.7654 16.7 (3,0,1)
51.82 1.7642 16.8 (2,-1,3)
51.88 1.7623 9.9 (4,-2,0)
51.90 1.7617 9.9 (3,-3,2)
53.96 1.6992 8.7 (4,-3,1)
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Energy Properties

Formation Energy/atom
-0.63890
eV/atom
Energy/atom
-4.52484
eV/atom
Energy above Hull
0.2078
eV/atom
Uncorrected Energy
-4.1323
eV/atom
Volume/atom
17.28
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.182
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0027
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
16.556
GPa
GVRH
9.506
GPa
Young's Modulus E
23.937
GPa
Poisson Ratio ν
0.259
Pugh Ratio K/G
1.742
Vickers Hardness Est.
0.902
GPa
Ductility
Ductile
Anisotropy
4.807
Lame λ
10.219
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
4.8070
Homogeneous Poisson ν
0.2590
Debye Temperature
215.2
K
Sound Velocity
1,581.3
m/s
Homogeneity
0.2590

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-615141
Reference Citation

The crystal structure and related material properties of Pb(ClO2)2 were obtained from the Materials Project database (MP-ID: mp-615141, 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_Pb(ClO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15446275
_cell_length_b   7.15446275
_cell_length_c   6.11338800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.35804315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb(ClO2)2
_chemical_formula_sum   'Pb2 Cl4 O8'
_cell_volume   241.95067093
_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
  Pb  Pb0  1  0.50000000  0.50000000  0.50000000  1.0
  Pb  Pb1  1  0.00000000  0.00000000  0.00000000  1.0
  Cl  Cl2  1  0.82527000  0.17473000  0.50000000  1.0
  Cl  Cl3  1  0.32527000  0.67473000  0.00000000  1.0
  Cl  Cl4  1  0.67473000  0.32527000  0.00000000  1.0
  Cl  Cl5  1  0.17473000  0.82527000  0.50000000  1.0
  O  O6  1  0.25896200  0.04756200  0.65122300  1.0
  O  O7  1  0.95243800  0.74103800  0.34877700  1.0
  O  O8  1  0.75896200  0.54756200  0.84877700  1.0
  O  O9  1  0.24103800  0.45243800  0.84877700  1.0
  O  O10  1  0.54756200  0.75896200  0.15122300  1.0
  O  O11  1  0.04756200  0.25896200  0.34877700  1.0
  O  O12  1  0.74103800  0.95243800  0.65122300  1.0
  O  O13  1  0.45243800  0.24103800  0.15122300  1.0
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