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DyHO2

Elasticity Data ELA

MP-ID: mp-777422 · Space group: Pmn2_1 (#31)

Basic Information

Formula
DyHO2
MP-ID
mp-777422
Elements
3
Sites
8
Density
7.0519
g/cm³
Volume
92.07
ų
Cell a
5.4505
Å
Cell b
4.8428
Å
Cell c
3.4882
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmn2_1
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
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
18.32 4.8428 3.9 (0,1,0)
24.59 3.6202 100.0 (1,1,0)
30.42 2.9381 45.8 (1,0,1)
31.61 2.8304 59.6 (0,1,1)
32.86 2.7252 25.4 (2,0,0)
35.75 2.5119 5.4 (1,1,1)
37.13 2.4214 10.1 (0,2,0)
37.88 2.3750 2.6 (2,1,0)
40.78 2.2129 4.3 (1,2,0)
45.61 1.9891 3.0 (0,2,1)
46.24 1.9632 39.5 (2,1,1)
48.73 1.8686 37.8 (1,2,1)
50.41 1.8101 14.3 (2,2,0)
52.46 1.7441 9.8 (0,0,2)
53.90 1.7011 12.8 (3,1,0)
57.05 1.6143 1.6 (0,3,0)
57.17 1.6114 14.0 (3,0,1)
57.35 1.6067 3.0 (2,2,1)
58.76 1.5713 18.6 (1,1,2)
59.75 1.5478 7.2 (1,3,0)
63.31 1.4690 7.8 (2,0,2)
63.50 1.4650 4.9 (0,3,1)
64.08 1.4532 1.1 (3,2,0)
66.01 1.4152 4.2 (0,2,2)
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Energy Properties

Formation Energy/atom
-2.97522
eV/atom
Energy/atom
-7.45259
eV/atom
Energy above Hull
0.0079
eV/atom
Uncorrected Energy
-14.7077
eV/atom
Volume/atom
11.51
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
4.728
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
106.131
GPa
GVRH
56.792
GPa
Young's Modulus E
144.586
GPa
Poisson Ratio ν
0.273
Pugh Ratio K/G
1.869
Vickers Hardness Est.
7.223
GPa
Ductility
Brittle
Anisotropy
0.512
Lame λ
68.270
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5120
Homogeneous Poisson ν
0.2730
Homogeneity
0.2730

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-777422
Reference Citation

The crystal structure and related material properties of DyHO2 were obtained from the Materials Project database (MP-ID: mp-777422, 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_DyHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45047813
_cell_length_b   4.84277518
_cell_length_c   3.48822234
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyHO2
_chemical_formula_sum   'Dy2 H2 O4'
_cell_volume   92.07316420
_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
  Dy  Dy0  1  0.01515667  0.28091198  -0.00000000  1.0
  Dy  Dy1  1  0.51515667  0.71908802  0.50000000  1.0
  H  H2  1  0.03866176  0.81645340  0.50000000  1.0
  H  H3  1  0.53866176  0.18354660  -0.00000000  1.0
  O  O4  1  0.14605553  0.98425487  0.50000000  1.0
  O  O5  1  0.37735004  0.48088028  0.00000000  1.0
  O  O6  1  0.64605553  0.01574513  -0.00000000  1.0
  O  O7  1  0.87735004  0.51911972  0.50000000  1.0
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