Basic Information
Formula
Dy10Ir3Os
MP-ID
mp-3295791
Elements
3
Sites
14
Density
10.9949
g/cm³
Volume
361.24
ų
Cell a
6.4942
Å
Cell b
7.1920
Å
Cell c
8.4563
Å
α Angle
96.25
°
β Angle
112.91
°
γ Angle
90.04
°
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 |
|---|---|---|---|
| 11.44 | 7.7344 | 14.6 | (0,0,1) |
| 14.76 | 6.0005 | 6.3 | (1,0,-1) |
| 14.83 | 5.9752 | 6.3 | (1,0,0) |
| 18.89 | 4.6984 | 1.3 | (1,1,-1) |
| 18.91 | 4.6928 | 1.1 | (1,-1,0) |
| 19.74 | 4.4964 | 76.2 | (1,-1,-1) |
| 19.82 | 4.4800 | 74.7 | (1,1,0) |
| 23.00 | 3.8672 | 17.5 | (0,0,2) |
| 24.25 | 3.6709 | 14.9 | (1,1,-2) |
| 24.34 | 3.6567 | 13.9 | (1,-1,1) |
| 26.22 | 3.3987 | 3.5 | (0,2,-1) |
| 28.51 | 3.1307 | 38.4 | (1,-2,0) |
| 28.51 | 3.1305 | 36.9 | (1,2,-1) |
| 28.75 | 3.1049 | 14.4 | (0,2,1) |
| 29.68 | 3.0101 | 9.5 | (1,-2,-1) |
| 29.75 | 3.0034 | 9.8 | (1,2,0) |
| 29.78 | 3.0002 | 8.6 | (2,0,-2) |
| 29.91 | 2.9876 | 9.4 | (2,0,0) |
| 30.22 | 2.9575 | 62.0 | (2,-1,-1) |
| 30.25 | 2.9542 | 62.3 | (2,1,-1) |
| 31.83 | 2.8112 | 45.5 | (2,1,-2) |
| 31.85 | 2.8098 | 46.5 | (1,2,-2) |
| 31.91 | 2.8048 | 42.8 | (1,-2,1) |
| 31.92 | 2.8036 | 44.5 | (2,-1,0) |
Energy Properties
Formation Energy/atom
-0.65433
eV/atom
Energy/atom
-38.50300
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.5030
eV/atom
Volume/atom
25.80
ų
c/a Ratio
1.3021
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.1517
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000420
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-3295791
Reference Citation
The crystal structure and related material properties of Dy10Ir3Os were obtained from the Materials Project database (MP-ID: mp-3295791, 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_Dy10Ir3Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49416477
_cell_length_b 7.19201472
_cell_length_c 8.45631458
_cell_angle_alpha 96.24695630
_cell_angle_beta 112.91091203
_cell_angle_gamma 90.04465473
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy10Ir3Os
_chemical_formula_sum 'Dy10 Ir3 Os1'
_cell_volume 361.24185090
_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 0.78772775 0.08421458 0.81537928 1.0
Dy Dy1 1 0.96881819 0.41591587 0.17817605 1.0
Dy Dy2 1 0.20972943 0.91545589 0.18300932 1.0
Dy Dy3 1 0.02715765 0.58364171 0.81578432 1.0
Dy Dy4 1 0.21787737 0.18215208 0.56104553 1.0
Dy Dy5 1 0.65432627 0.31959695 0.44160079 1.0
Dy Dy6 1 0.78602311 0.81938944 0.43968387 1.0
Dy Dy7 1 0.34697183 0.67922693 0.56141849 1.0
Dy Dy8 1 0.42823775 0.24992964 0.99983464 1.0
Dy Dy9 1 0.57146878 0.74933460 0.99923891 1.0
Ir Ir10 1 0.82748801 0.07190773 0.22048437 1.0
Ir Ir11 1 0.39032444 0.57309478 0.21839382 1.0
Ir Ir12 1 0.17153385 0.92793322 0.78044337 1.0
Os Os13 1 0.61231358 0.42820757 0.78550723 1.0
