Basic Information
Formula
RhN
MP-ID
mp-999263
Elements
2
Sites
4
Density
9.3591
g/cm³
Volume
41.49
ų
Cell a
3.0484
Å
Cell b
3.0484
Å
Cell c
5.1550
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
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 |
|---|---|---|---|
| 33.96 | 2.6400 | 100.0 | (1,0,-1,0) |
| 34.81 | 2.5775 | 27.0 | (0,0,0,2) |
| 38.30 | 2.3498 | 1.9 | (1,0,-1,1) |
| 49.42 | 1.8443 | 86.6 | (1,0,-1,2) |
| 60.77 | 1.5242 | 24.9 | (2,-1,-1,0) |
| 71.47 | 1.3200 | 7.6 | (2,0,-2,0) |
| 71.47 | 1.3200 | 3.8 | (2,-2,0,0) |
| 71.97 | 1.3120 | 6.8 | (1,1,-2,2) |
| 71.97 | 1.3120 | 13.6 | (2,-1,-1,2) |
| 73.48 | 1.2887 | 4.6 | (0,0,0,4) |
| 82.02 | 1.1749 | 18.8 | (2,0,-2,2) |
| 83.47 | 1.1581 | 15.1 | (1,0,-1,4) |
Energy Properties
Formation Energy/atom
0.60889
eV/atom
Energy/atom
-16.02360
eV/atom
Energy above Hull
0.6089
eV/atom
Uncorrected Energy
-7.0610
eV/atom
Volume/atom
10.37
ų
c/a Ratio
1.6910
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0008
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
KVRH
273.586
GPa
GVRH
88.779
GPa
Young's Modulus E
240.340
GPa
Poisson Ratio ν
0.354
Pugh Ratio K/G
3.082
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.298
Lame λ
214.400
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Rh · 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
Rh · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999263
Reference Citation
The crystal structure and related material properties of RhN were obtained from the Materials Project database (MP-ID: mp-999263, 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_RhN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04841986
_cell_length_b 3.04841986
_cell_length_c 5.15494800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999697
_symmetry_Int_Tables_number 1
_chemical_formula_structural RhN
_chemical_formula_sum 'Rh2 N2'
_cell_volume 41.48628041
_cell_formula_units_Z 2
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
Rh Rh0 1 0.00000000 0.00000000 0.50000000 1.0
Rh Rh1 1 0.00000000 0.00000000 0.00000000 1.0
N N2 1 0.33333300 0.66666700 0.25000000 1.0
N N3 1 0.66666700 0.33333300 0.75000000 1.0
