Basic Information
Formula
Dy10IrRu3
MP-ID
mp-3295413
Elements
3
Sites
14
Density
9.8256
g/cm³
Volume
358.35
ų
Cell a
8.4628
Å
Cell b
8.4861
Å
Cell c
7.2241
Å
α Angle
83.23
°
β Angle
83.26
°
γ Angle
44.14
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 11.36 | 7.7900 | 8.7 | (1,1,0) |
| 12.35 | 7.1656 | 4.1 | (0,0,1) |
| 15.01 | 5.9025 | 7.6 | (0,1,0) |
| 15.05 | 5.8866 | 2.8 | (1,0,0) |
| 15.70 | 5.6429 | 2.3 | (1,1,1) |
| 17.85 | 4.9688 | 1.9 | (1,1,-1) |
| 19.01 | 4.6687 | 2.3 | (0,1,1) |
| 19.05 | 4.6582 | 1.7 | (1,0,1) |
| 19.95 | 4.4508 | 28.7 | (0,1,-1) |
| 19.97 | 4.4463 | 26.0 | (1,0,-1) |
| 22.04 | 4.0322 | 1.0 | (1,2,0) |
| 22.13 | 4.0170 | 1.4 | (2,1,0) |
| 22.83 | 3.8950 | 4.5 | (2,2,0) |
| 24.23 | 3.6728 | 1.3 | (1,2,1) |
| 24.32 | 3.6601 | 1.0 | (2,1,1) |
| 24.59 | 3.6204 | 1.1 | (2,2,1) |
| 24.85 | 3.5828 | 4.5 | (0,0,2) |
| 26.41 | 3.3742 | 7.2 | (1,2,-1) |
| 26.48 | 3.3663 | 4.7 | (2,1,-1) |
| 28.02 | 3.1839 | 4.7 | (1,-1,0) |
| 28.51 | 3.1311 | 40.3 | (0,1,2) |
| 28.54 | 3.1271 | 35.3 | (1,0,2) |
| 28.72 | 3.1086 | 29.8 | (1,1,-2) |
| 29.79 | 2.9987 | 7.4 | (0,1,-2) |
Energy Properties
Formation Energy/atom
-0.47908
eV/atom
Energy/atom
-32.51129
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-32.5113
eV/atom
Volume/atom
25.60
ų
c/a Ratio
0.8536
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.1403
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000390
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.714
Element Family
N/A
Solute Fraction
0.286
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.669
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.714
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295413
Reference Citation
The crystal structure and related material properties of Dy10IrRu3 were obtained from the Materials Project database (MP-ID: mp-3295413, 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_Dy10IrRu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46276844
_cell_length_b 8.48612664
_cell_length_c 7.22406552
_cell_angle_alpha 83.22702906
_cell_angle_beta 83.25600946
_cell_angle_gamma 44.13637266
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy10IrRu3
_chemical_formula_sum 'Dy10 Ir1 Ru3'
_cell_volume 358.35415726
_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 0.20671191 0.98072003 0.58799519 1.0
Dy Dy1 1 0.01940720 0.79554226 0.91511176 1.0
Dy Dy2 1 0.21211599 0.35214349 0.31439590 1.0
Dy Dy3 1 0.64481004 0.78869256 0.18530023 1.0
Dy Dy4 1 0.78847960 0.64490670 0.68394805 1.0
Dy Dy5 1 0.35620680 0.20956116 0.81557930 1.0
Dy Dy6 1 0.97987451 0.20613823 0.08713061 1.0
Dy Dy7 1 0.79230934 0.02245280 0.41221874 1.0
Dy Dy8 1 0.57689076 0.42322922 0.74939221 1.0
Dy Dy9 1 0.42298874 0.57805426 0.24901637 1.0
Ir Ir10 1 0.17369199 0.60307196 0.57505515 1.0
Ru Ru11 1 0.39218820 0.82912936 0.92476253 1.0
Ru Ru12 1 0.82934262 0.39271220 0.42565668 1.0
Ru Ru13 1 0.60498232 0.17364576 0.07443928 1.0
