RuN
传统材料 TRAMP-ID: mp-1002197 · Space group: P-6m2 (#187)
Basic Information
Formula
RuN
MP-ID
mp-1002197
Elements
2
Sites
2
Density
9.3003
g/cm³
Volume
20.55
ų
Cell a
2.9484
Å
Cell b
2.9484
Å
Cell c
2.7292
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 32.82 | 2.7292 | 34.0 | (0,0,0,1) |
| 35.15 | 2.5534 | 100.0 | (1,0,-1,0) |
| 48.84 | 1.8646 | 98.3 | (1,0,-1,1) |
| 63.06 | 1.4742 | 24.1 | (2,-1,-1,0) |
| 68.80 | 1.3646 | 6.1 | (0,0,0,2) |
| 72.93 | 1.2971 | 21.1 | (2,-1,-1,1) |
| 74.29 | 1.2767 | 3.7 | (2,-2,0,0) |
| 74.29 | 1.2767 | 7.4 | (2,0,-2,0) |
| 79.67 | 1.2035 | 18.4 | (1,0,-1,2) |
| 83.62 | 1.1564 | 19.5 | (2,0,-2,1) |
Energy Properties
Formation Energy/atom
0.73250
eV/atom
Energy/atom
-16.54415
eV/atom
Energy above Hull
0.7325
eV/atom
Uncorrected Energy
-7.8925
eV/atom
Volume/atom
10.27
ų
c/a Ratio
0.9257
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0337
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001640
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ru · 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
Ru · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1002197
Reference Citation
The crystal structure and related material properties of RuN were obtained from the Materials Project database (MP-ID: mp-1002197, 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_RuN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94839614
_cell_length_b 2.94839614
_cell_length_c 2.72922700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000318
_symmetry_Int_Tables_number 1
_chemical_formula_structural RuN
_chemical_formula_sum 'Ru1 N1'
_cell_volume 20.54669363
_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
Ru Ru0 1 0.66666700 0.33333300 0.00000000 1.0
N N1 1 0.00000000 0.00000000 0.50000000 1.0
