RuN2
Traditional Materials TRAMP-ID: mp-1019082 · Space group: P4/mbm (#127)
Basic Information
Formula
RuN2
MP-ID
mp-1019082
Elements
2
Sites
6
Density
8.1767
g/cm³
Volume
52.43
ų
Cell a
4.4214
Å
Cell b
4.4214
Å
Cell c
2.6819
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mbm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 28.55 | 3.1264 | 89.1 | (1,1,0) |
| 33.41 | 2.6819 | 23.0 | (0,0,1) |
| 40.82 | 2.2107 | 54.8 | (2,0,0) |
| 44.51 | 2.0356 | 100.0 | (1,1,1) |
| 45.89 | 1.9773 | 1.4 | (2,1,0) |
| 53.73 | 1.7059 | 38.7 | (2,0,1) |
| 57.95 | 1.5915 | 1.1 | (2,1,1) |
| 59.10 | 1.5632 | 16.4 | (2,2,0) |
| 66.92 | 1.3982 | 24.7 | (3,1,0) |
| 69.62 | 1.3505 | 19.0 | (2,2,1) |
| 70.18 | 1.3410 | 6.7 | (0,0,2) |
| 76.90 | 1.2398 | 25.8 | (3,1,1) |
| 77.44 | 1.2324 | 11.2 | (1,1,2) |
| 84.50 | 1.1465 | 12.5 | (2,0,2) |
| 88.44 | 1.1054 | 3.7 | (4,0,0) |
Energy Properties
Formation Energy/atom
0.61274
eV/atom
Energy/atom
-13.94794
eV/atom
Energy above Hull
0.6127
eV/atom
Uncorrected Energy
-7.7957
eV/atom
Volume/atom
8.74
ų
c/a Ratio
0.6066
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0256
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000490
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
N · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.667
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.503
Family
Binary Alloy
Matrix Element
N · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1019082
Reference Citation
The crystal structure and related material properties of RuN2 were obtained from the Materials Project database (MP-ID: mp-1019082, 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_RuN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42142200
_cell_length_b 4.42142200
_cell_length_c 2.68193800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RuN2
_chemical_formula_sum 'Ru2 N4'
_cell_volume 52.42913221
_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
Ru Ru0 1 0.50000000 0.50000000 0.00000000 1.0
Ru Ru1 1 0.00000000 0.00000000 0.00000000 1.0
N N2 1 0.89440300 0.39440300 0.50000000 1.0
N N3 1 0.10559700 0.60559700 0.50000000 1.0
N N4 1 0.39440300 0.10559700 0.50000000 1.0
N N5 1 0.60559700 0.89440300 0.50000000 1.0
