Basic Information
Formula
Dy5Ir2Os
MP-ID
mp-3293404
Elements
3
Sites
32
Density
12.3925
g/cm³
Volume
743.49
ų
Cell a
10.7732
Å
Cell b
10.7732
Å
Cell c
6.4060
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/ncc
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 11.62 | 7.6178 | 4.2 | (1,1,0) |
| 16.46 | 5.3866 | 8.2 | (2,0,0) |
| 23.10 | 3.8505 | 40.7 | (2,1,1) |
| 23.35 | 3.8089 | 6.5 | (2,2,0) |
| 27.85 | 3.2030 | 4.0 | (0,0,2) |
| 29.09 | 3.0702 | 13.3 | (1,0,2) |
| 29.70 | 3.0079 | 77.7 | (3,1,1) |
| 32.52 | 2.7531 | 24.1 | (2,0,2) |
| 33.08 | 2.7079 | 73.8 | (3,2,1) |
| 33.60 | 2.6674 | 86.1 | (2,1,2) |
| 35.35 | 2.5393 | 11.6 | (3,3,0) |
| 36.66 | 2.4514 | 2.2 | (2,2,2) |
| 37.16 | 2.4194 | 99.9 | (4,1,1) |
| 37.33 | 2.4090 | 100.0 | (4,2,0) |
| 37.63 | 2.3903 | 42.3 | (3,0,2) |
| 38.58 | 2.3336 | 62.4 | (3,1,2) |
| 39.99 | 2.2548 | 30.2 | (4,2,1) |
| 41.32 | 2.1849 | 27.0 | (3,2,2) |
| 42.80 | 2.1128 | 6.4 | (5,1,0) |
| 43.92 | 2.0614 | 28.8 | (4,0,2) |
| 44.36 | 2.0422 | 5.2 | (5,0,1) |
| 44.76 | 2.0247 | 3.3 | (4,1,2) |
| 45.19 | 2.0065 | 1.3 | (5,1,1) |
| 45.59 | 1.9898 | 4.5 | (3,3,2) |
Energy Properties
Formation Energy/atom
-0.74212
eV/atom
Energy/atom
-40.44374
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-40.4437
eV/atom
Volume/atom
23.23
ų
c/a Ratio
0.5946
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0035
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Dy · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.600
Family
Dy-rich Multi-Component
Matrix Element
Dy · 0.625
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293404
Reference Citation
The crystal structure and related material properties of Dy5Ir2Os were obtained from the Materials Project database (MP-ID: mp-3293404, 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_Dy5Ir2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.77318847
_cell_length_b 10.77318847
_cell_length_c 6.40602842
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy5Ir2Os
_chemical_formula_sum 'Dy20 Ir8 Os4'
_cell_volume 743.49384264
_cell_formula_units_Z 4
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 0.29367474 0.08621308 0.38010605 1.0
Dy Dy1 1 0.29367474 0.91378692 0.88010605 1.0
Dy Dy2 1 0.70632526 0.08621308 0.88010605 1.0
Dy Dy3 1 0.70632526 0.91378692 0.38010605 1.0
Dy Dy4 1 0.58621308 0.79367474 0.88010605 1.0
Dy Dy5 1 0.58621308 0.20632526 0.38010605 1.0
Dy Dy6 1 0.41378692 0.79367474 0.38010605 1.0
Dy Dy7 1 0.41378692 0.20632526 0.88010605 1.0
Dy Dy8 1 0.20632526 0.41378692 0.61989395 1.0
Dy Dy9 1 0.20632526 0.58621308 0.11989395 1.0
Dy Dy10 1 0.79367474 0.41378692 0.11989395 1.0
Dy Dy11 1 0.79367474 0.58621308 0.61989395 1.0
Dy Dy12 1 0.91378692 0.70632526 0.11989395 1.0
Dy Dy13 1 0.91378692 0.29367474 0.61989395 1.0
Dy Dy14 1 0.08621308 0.70632526 0.61989395 1.0
Dy Dy15 1 0.08621308 0.29367474 0.11989395 1.0
Dy Dy16 1 0.00000000 0.00000000 0.50000000 1.0
Dy Dy17 1 0.00000000 0.00000000 0.00000000 1.0
Dy Dy18 1 0.50000000 0.50000000 0.00000000 1.0
Dy Dy19 1 0.50000000 0.50000000 0.50000000 1.0
Ir Ir20 1 0.84814221 0.15185779 0.25000000 1.0
Ir Ir21 1 0.84814221 0.84814221 0.75000000 1.0
Ir Ir22 1 0.15185779 0.15185779 0.75000000 1.0
Ir Ir23 1 0.15185779 0.84814221 0.25000000 1.0
Ir Ir24 1 0.65185779 0.34814221 0.75000000 1.0
Ir Ir25 1 0.65185779 0.65185779 0.25000000 1.0
Ir Ir26 1 0.34814221 0.34814221 0.25000000 1.0
Ir Ir27 1 0.34814221 0.65185779 0.75000000 1.0
Os Os28 1 0.50000000 0.00000000 0.12740915 1.0
Os Os29 1 0.50000000 0.00000000 0.62740915 1.0
Os Os30 1 0.00000000 0.50000000 0.87259085 1.0
Os Os31 1 0.00000000 0.50000000 0.37259085 1.0
