YIr
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-30746 · Space group: Pm-3m (#221)
Basic Information
Formula
YIr
MP-ID
mp-30746
Elements
2
Sites
2
Density
11.7075
g/cm³
Volume
39.87
ų
Cell a
3.4163
Å
Cell b
3.4163
Å
Cell c
3.4163
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
Yes
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 8)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.08 | 3.4163 | 15.0 | (1,0,0) |
| 37.22 | 2.4157 | 100.0 | (1,1,0) |
| 46.01 | 1.9724 | 4.7 | (1,1,1) |
| 53.66 | 1.7082 | 17.5 | (2,0,0) |
| 60.61 | 1.5278 | 6.5 | (2,1,0) |
| 67.11 | 1.3947 | 35.5 | (2,1,1) |
| 79.32 | 1.2079 | 11.1 | (2,2,0) |
| 85.21 | 1.1388 | 3.4 | (2,2,1) |
Energy Properties
Formation Energy/atom
-0.79901
eV/atom
Energy/atom
-8.47277
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-37.2707
eV/atom
Volume/atom
19.94
ų
c/a Ratio
1.0000
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
130.242
GPa
GVRH
46.637
GPa
Young's Modulus E
124.992
GPa
Poisson Ratio ν
0.340
Pugh Ratio K/G
2.793
Vickers Hardness Est.
2.694
GPa
Ductility
Brittle
Anisotropy
0.207
Lame λ
99.151
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Y · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.624
Family
Binary Alloy
Matrix Element
Y · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2070
Homogeneous Poisson ν
0.3400
Debye Temperature
246.0
K
Sound Velocity
2,241.0
m/s
Homogeneity
0.3400
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30746
Reference Citation
The crystal structure and related material properties of YIr were obtained from the Materials Project database (MP-ID: mp-30746, 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_YIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41633399
_cell_length_b 3.41633399
_cell_length_c 3.41633399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YIr
_chemical_formula_sum 'Y1 Ir1'
_cell_volume 39.87318848
_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
Y Y0 1 0.50000000 0.50000000 0.50000000 1.0
Ir Ir1 1 0.00000000 0.00000000 -0.00000000 1.0
