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Cd(HO)2

Elasticity Data ELA

MP-ID: mp-2051619 · Space group: Cm (#8)

Basic Information

Formula
Cd(HO)2
MP-ID
mp-2051619
Elements
3
Sites
10
Density
4.8767
g/cm³
Volume
99.72
ų
Cell a
3.4338
Å
Cell b
5.7024
Å
Cell c
6.0529
Å
α Angle
117.45
°
β Angle
105.77
°
γ Angle
91.21
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic 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
17.41 5.0938 35.8 (0,0,1)
17.79 4.9853 96.4 (0,1,0)
17.87 4.9649 100.0 (0,1,-1)
27.39 3.2557 39.5 (1,0,0)
27.44 3.2508 39.4 (1,0,-1)
30.10 2.9689 60.0 (1,-1,0)
30.58 2.9237 64.5 (0,1,1)
30.68 2.9138 48.3 (1,1,-1)
30.71 2.9114 64.2 (0,1,-2)
31.38 2.8505 76.5 (0,2,-1)
34.98 2.5654 8.3 (1,-1,-1)
34.99 2.5646 7.8 (1,-1,1)
35.24 2.5469 14.6 (0,0,2)
35.42 2.5342 9.9 (1,1,0)
35.56 2.5243 9.2 (1,1,-2)
36.03 2.4926 13.9 (0,2,0)
36.18 2.4825 12.2 (0,2,-2)
37.20 2.4172 57.6 (1,0,1)
37.29 2.4113 57.5 (1,0,-2)
41.69 2.1666 8.9 (1,-2,0)
41.73 2.1646 10.0 (1,-2,1)
42.54 2.1252 9.5 (1,2,-1)
42.63 2.1207 10.5 (1,2,-2)
47.00 1.9334 17.8 (1,-1,-2)
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Energy Properties

Formation Energy/atom
-1.31691
eV/atom
Energy/atom
-4.84616
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-8.9443
eV/atom
Volume/atom
9.97
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
2.264
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
57.133
GPa
GVRH
21.765
GPa
Young's Modulus E
57.938
GPa
Poisson Ratio ν
0.331
Pugh Ratio K/G
2.625
Vickers Hardness Est.
0.920
GPa
Ductility
Brittle
Anisotropy
0.410
Lame λ
42.623
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
H · 0.400
Element Family
Alkali-AlkEarth
Solute Fraction
0.600
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.4100
Homogeneous Poisson ν
0.3310
Debye Temperature
357.8
K
Sound Velocity
2,369.2
m/s
Homogeneity
0.3310

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-2051619
Reference Citation

The crystal structure and related material properties of Cd(HO)2 were obtained from the Materials Project database (MP-ID: mp-2051619, 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_Cd(HO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43375499
_cell_length_b   5.70242850
_cell_length_c   6.05293175
_cell_angle_alpha   117.45447725
_cell_angle_beta   105.76515867
_cell_angle_gamma   91.21271567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd(HO)2
_chemical_formula_sum   'Cd2 H4 O4'
_cell_volume   99.71759204
_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  0.17153180  0.15317279  0.31448616  1.0
  Cd  Cd1  1  0.86394922  0.84254108  0.69889994  1.0
  H  H2  1  0.52710469  0.72146226  0.01288351  1.0
  H  H3  1  0.35882396  0.32026176  0.00175026  1.0
  H  H4  1  0.88324759  0.37538458  0.72971879  1.0
  H  H5  1  0.16204356  0.65266803  0.28255553  1.0
  O  O6  1  0.52858630  0.88884114  0.00802117  1.0
  O  O7  1  0.07731351  0.31117879  0.00394816  1.0
  O  O8  1  0.80081432  0.39603256  0.57127453  1.0
  O  O9  1  0.23739505  0.83033701  0.44070695  1.0
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