RhN
传统材料 TRAMP-ID: mp-1009732 · Space group: P-6m2 (#187)
Basic Information
Formula
RhN
MP-ID
mp-1009732
Elements
2
Sites
2
Density
9.1304
g/cm³
Volume
21.26
ų
Cell a
2.9319
Å
Cell b
2.9319
Å
Cell c
2.8562
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 |
|---|---|---|---|
| 31.32 | 2.8562 | 39.2 | (0,0,0,1) |
| 35.35 | 2.5391 | 100.0 | (1,0,-1,0) |
| 47.94 | 1.8977 | 35.1 | (1,-1,0,1) |
| 47.94 | 1.8977 | 70.2 | (1,0,-1,1) |
| 63.46 | 1.4660 | 15.9 | (2,-1,-1,0) |
| 63.46 | 1.4660 | 8.0 | (1,1,-2,0) |
| 65.34 | 1.4281 | 7.2 | (0,0,0,2) |
| 72.47 | 1.3042 | 21.9 | (2,-1,-1,1) |
| 74.78 | 1.2696 | 11.1 | (2,0,-2,0) |
| 76.54 | 1.2447 | 20.9 | (1,0,-1,2) |
| 83.29 | 1.1601 | 6.7 | (2,-2,0,1) |
| 83.29 | 1.1601 | 13.3 | (2,0,-2,1) |
Energy Properties
Formation Energy/atom
0.91069
eV/atom
Energy/atom
-15.72180
eV/atom
Energy above Hull
0.9107
eV/atom
Uncorrected Energy
-6.7592
eV/atom
Volume/atom
10.63
ų
c/a Ratio
0.9742
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0109
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000510
μB/ų
Elastic Properties
Elastic data not available
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-1009732
Reference Citation
The crystal structure and related material properties of RhN were obtained from the Materials Project database (MP-ID: mp-1009732, 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 2.93192206
_cell_length_b 2.93192206
_cell_length_c 2.85615500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000129
_symmetry_Int_Tables_number 1
_chemical_formula_structural RhN
_chemical_formula_sum 'Rh1 N1'
_cell_volume 21.26264263
_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
Rh Rh0 1 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.33333300 0.66666700 0.50000000 1.0
