Basic Information
Formula
DyB2Ru3
MP-ID
mp-3092
Elements
3
Sites
6
Density
10.3280
g/cm³
Volume
78.35
ų
Cell a
5.4725
Å
Cell b
5.4725
Å
Cell c
3.0210
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6/mmm
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 18.72 | 4.7393 | 5.5 | (1,0,-1,0) |
| 29.57 | 3.0210 | 5.5 | (0,0,0,1) |
| 32.73 | 2.7363 | 1.3 | (1,-2,1,0) |
| 32.73 | 2.7363 | 2.5 | (2,-1,-1,0) |
| 35.23 | 2.5475 | 75.1 | (1,0,-1,1) |
| 37.97 | 2.3697 | 100.0 | (2,0,-2,0) |
| 44.68 | 2.0281 | 45.6 | (2,-1,-1,1) |
| 48.85 | 1.8645 | 7.2 | (2,-2,0,1) |
| 48.85 | 1.8645 | 3.6 | (2,0,-2,1) |
| 60.04 | 1.5408 | 21.5 | (2,1,-3,1) |
| 60.04 | 1.5408 | 10.7 | (3,-1,-2,1) |
| 61.38 | 1.5105 | 8.8 | (0,0,0,2) |
| 66.83 | 1.3999 | 4.5 | (0,3,-3,1) |
| 66.83 | 1.3999 | 9.0 | (3,0,-3,1) |
| 68.59 | 1.3681 | 6.3 | (2,-4,2,0) |
| 68.59 | 1.3681 | 6.3 | (2,2,-4,0) |
| 68.59 | 1.3681 | 6.3 | (4,-2,-2,0) |
| 74.49 | 1.2737 | 27.2 | (2,0,-2,2) |
| 76.42 | 1.2463 | 1.3 | (4,-2,-2,1) |
| 79.52 | 1.2053 | 7.1 | (3,-4,1,1) |
| 79.52 | 1.2053 | 7.1 | (4,-1,-3,1) |
| 81.18 | 1.1848 | 3.6 | (0,4,-4,0) |
| 81.18 | 1.1848 | 3.6 | (4,-4,0,0) |
| 81.18 | 1.1848 | 3.6 | (4,0,-4,0) |
Energy Properties
Formation Energy/atom
-0.47140
eV/atom
Energy/atom
-8.10479
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.0082
eV/atom
Volume/atom
13.06
ų
c/a Ratio
0.5520
Electronic Properties
Metallic
Metal
Band Gap
0
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
223.115
GPa
GVRH
105.243
GPa
Young's Modulus E
272.831
GPa
Poisson Ratio ν
0.296
Pugh Ratio K/G
2.120
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.082
Lame λ
152.953
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ru · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.333
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.491
Family
Interstitial Alloy
Matrix Element
Ru · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3092
Reference Citation
The crystal structure and related material properties of DyB2Ru3 were obtained from the Materials Project database (MP-ID: mp-3092, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_DyB2Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47251191
_cell_length_b 5.47251289
_cell_length_c 3.02102166
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000016
_symmetry_Int_Tables_number 1
_chemical_formula_structural DyB2Ru3
_chemical_formula_sum 'Dy1 B2 Ru3'
_cell_volume 78.35342386
_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 0.00000000 0.00000000 0.00000000 1.0
B B1 1 0.33333300 0.66666700 -0.00000000 1.0
B B2 1 0.66666700 0.33333300 0.00000000 1.0
Ru Ru3 1 0.50000000 0.00000000 0.50000000 1.0
Ru Ru4 1 0.50000000 0.50000000 0.50000000 1.0
Ru Ru5 1 0.00000000 0.50000000 0.50000000 1.0
