Basic Information
Formula
IrC
MP-ID
mp-1001827
Elements
2
Sites
2
Density
15.7435
g/cm³
Volume
21.54
ų
Cell a
3.0503
Å
Cell b
3.0503
Å
Cell c
2.6734
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
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 12)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 33.52 | 2.6734 | 32.3 | (0,0,0,1) |
| 33.94 | 2.6416 | 100.0 | (1,0,-1,0) |
| 48.44 | 1.8790 | 82.9 | (1,0,-1,1) |
| 60.73 | 1.5251 | 22.0 | (2,-1,-1,0) |
| 70.44 | 1.3367 | 4.7 | (0,0,0,2) |
| 71.18 | 1.3247 | 15.6 | (2,-1,-1,1) |
| 71.18 | 1.3247 | 7.8 | (1,1,-2,1) |
| 71.42 | 1.3208 | 4.0 | (2,-2,0,0) |
| 71.42 | 1.3208 | 8.1 | (2,0,-2,0) |
| 80.54 | 1.1927 | 17.6 | (1,0,-1,2) |
| 81.24 | 1.1842 | 6.2 | (2,-2,0,1) |
| 81.24 | 1.1842 | 12.4 | (2,0,-2,1) |
Energy Properties
Formation Energy/atom
1.22072
eV/atom
Energy/atom
-29.93257
eV/atom
Energy above Hull
1.2207
eV/atom
Uncorrected Energy
-7.8128
eV/atom
Volume/atom
10.77
ų
c/a Ratio
0.8765
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0003
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
323.532
GPa
GVRH
82.577
GPa
Young's Modulus E
228.307
GPa
Poisson Ratio ν
0.382
Pugh Ratio K/G
3.918
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.663
Lame λ
268.481
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ir · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Ir · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1001827
Reference Citation
The crystal structure and related material properties of IrC were obtained from the Materials Project database (MP-ID: mp-1001827, 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_IrC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05025224
_cell_length_b 3.05025224
_cell_length_c 2.67338200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000526
_symmetry_Int_Tables_number 1
_chemical_formula_structural IrC
_chemical_formula_sum 'Ir1 C1'
_cell_volume 21.54086498
_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
Ir Ir0 1 0.00000000 0.00000000 0.00000000 1.0
C C1 1 0.33333300 0.66666700 0.50000000 1.0
