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Dy3Ni2

Traditional Materials TRA

MP-ID: mp-7281 · Space group: C2/m (#12)

Basic Information

Formula
Dy3Ni2
MP-ID
mp-7281
Elements
2
Sites
10
Density
9.0851
g/cm³
Volume
221.12
ų
Cell a
3.6390
Å
Cell b
6.8451
Å
Cell c
9.5326
Å
α Angle
104.44
°
β Angle
90.00
°
γ Angle
105.42
°
Space Group
C2/m
Point Group
2/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
9.61 9.2082 5.7 (0,0,1)
14.71 6.0202 1.2 (0,1,-1)
19.28 4.6041 1.2 (0,0,2)
26.60 3.3510 26.1 (1,-1,1)
27.14 3.2860 4.0 (0,2,-1)
27.91 3.1965 1.1 (1,-1,-1)
28.00 3.1871 42.6 (0,2,0)
28.84 3.0962 3.3 (0,1,-3)
29.09 3.0694 51.8 (0,0,3)
29.68 3.0101 1.7 (0,2,-2)
30.98 2.8864 1.6 (1,-1,2)
32.00 2.7965 6.6 (0,2,1)
32.21 2.7792 11.5 (1,-2,1)
32.39 2.7640 44.9 (1,-2,0)
33.24 2.6953 100.0 (1,-1,-2)
34.94 2.5681 54.7 (1,-2,2)
34.95 2.5674 51.4 (0,2,-3)
35.44 2.5326 41.3 (1,-2,-1)
35.60 2.5222 3.4 (0,1,3)
37.58 2.3933 20.0 (1,0,-3)
37.97 2.3699 9.4 (0,1,-4)
38.28 2.3513 22.3 (0,2,2)
40.06 2.2509 17.5 (1,-2,3)
40.81 2.2113 2.3 (1,-2,-2)
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Energy Properties

Formation Energy/atom
-0.35884
eV/atom
Energy/atom
-5.44192
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.3314
eV/atom
Volume/atom
22.11
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
0.5514
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.002490
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.667
Family
Binary Alloy
Matrix Element
Dy · 0.600

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-7281
Reference Citation

The crystal structure and related material properties of Dy3Ni2 were obtained from the Materials Project database (MP-ID: mp-7281, 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_Dy3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63900163
_cell_length_b   6.84507404
_cell_length_c   9.53261978
_cell_angle_alpha   104.44003165
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.41519017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy3Ni2
_chemical_formula_sum   'Dy6 Ni4'
_cell_volume   221.11713759
_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  0.14470307  0.28940714  0.36379803  1.0
  Dy  Dy1  1  0.85529693  0.71059286  0.63620197  1.0
  Dy  Dy2  1  0.59716439  0.19432977  0.67402172  1.0
  Dy  Dy3  1  0.40283561  0.80567023  0.32597828  1.0
  Dy  Dy4  1  0.86878060  0.73756220  0.00186865  1.0
  Dy  Dy5  1  0.13121940  0.26243780  0.99813135  1.0
  Ni  Ni6  1  0.25667602  0.51335303  0.77499282  1.0
  Ni  Ni7  1  0.74332398  0.48664697  0.22500718  1.0
  Ni  Ni8  1  0.46537921  0.93075943  0.85666039  1.0
  Ni  Ni9  1  0.53462079  0.06924057  0.14333961  1.0
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