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Dy3Y

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-979419 · Space group: Pm-3m (#221)

Basic Information

Formula
Dy3Y
MP-ID
mp-979419
Elements
2
Sites
4
Density
7.4762
g/cm³
Volume
128.03
ų
Cell a
5.0400
Å
Cell b
5.0400
Å
Cell c
5.0400
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
Cubic 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
17.60 5.0400 5.3 (1,0,0)
17.60 5.0400 2.7 (0,0,1)
24.99 3.5638 1.2 (1,1,0)
24.99 3.5638 2.4 (1,0,1)
24.99 3.5638 3.6 (1,0,-1)
30.73 2.9099 50.0 (1,1,1)
30.73 2.9099 100.0 (1,1,-1)
30.73 2.9099 50.0 (1,-1,-1)
35.63 2.5200 33.7 (2,0,0)
35.63 2.5200 67.4 (0,2,0)
40.00 2.2540 1.1 (2,0,-1)
40.00 2.2540 2.2 (1,0,-2)
44.01 2.0576 1.1 (2,1,-1)
44.01 2.0576 1.1 (2,-1,-1)
51.27 1.7819 11.9 (2,2,0)
51.27 1.7819 11.9 (2,0,2)
51.27 1.7819 47.8 (2,0,-2)
60.97 1.5196 7.1 (3,1,1)
60.97 1.5196 14.2 (3,1,-1)
60.97 1.5196 21.2 (3,-1,-1)
60.97 1.5196 21.2 (1,1,3)
60.97 1.5196 14.2 (1,1,-3)
60.97 1.5196 7.1 (1,-1,-3)
63.99 1.4549 6.1 (2,2,2)
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Energy Properties

Formation Energy/atom
0.05792
eV/atom
Energy/atom
-29.00683
eV/atom
Energy above Hull
0.0580
eV/atom
Uncorrected Energy
-29.0068
eV/atom
Volume/atom
32.01
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0395
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000310
μB/ų

Elastic Properties

KVRH
40.892
GPa
GVRH
25.480
GPa
Young's Modulus E
63.294
GPa
Poisson Ratio ν
0.242
Pugh Ratio K/G
1.605
Vickers Hardness Est.
4.644
GPa
Ductility
Ductile
Anisotropy
0.712
Lame λ
23.905
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.683
Family
Binary Alloy
Matrix Element
Dy · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.7120
Homogeneous Poisson ν
0.2420
Debye Temperature
357.9
K
Sound Velocity
2,047.6
m/s
Homogeneity
0.2420

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-979419
Reference Citation

The crystal structure and related material properties of Dy3Y were obtained from the Materials Project database (MP-ID: mp-979419, 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_Dy3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04002720
_cell_length_b   5.04002505
_cell_length_c   5.04002398
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99997567
_cell_angle_gamma   89.99997567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Y
_chemical_formula_sum   'Dy3 Y1'
_cell_volume   128.02600037
_cell_formula_units_Z   1
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  0.50000000  0.50000100  0.00000000  1.0
  Dy  Dy1  1  0.49999900  0.00000000  0.50000000  1.0
  Dy  Dy2  1  -0.00000000  0.50000000  0.49999900  1.0
  Y  Y3  1  0.00000100  0.99999900  0.00000100  1.0
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