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RuN2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-607371 · Space group: Pnnm (#58)

Basic Information

Formula
RuN2
MP-ID
mp-607371
Elements
2
Sites
6
Density
7.7786
g/cm³
Volume
55.11
ų
Cell a
2.7171
Å
Cell b
4.1132
Å
Cell c
4.9313
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnnm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic P
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 20)
2θd (Å)Ihkl
28.25 3.1587 100.0 (0,1,1)
36.44 2.4657 44.8 (0,0,2)
37.80 2.3798 40.6 (1,0,1)
39.76 2.2671 79.9 (1,1,0)
42.76 2.1148 1.1 (0,1,2)
44.03 2.0566 21.8 (0,2,0)
55.02 1.6689 49.2 (1,1,2)
58.44 1.5793 18.2 (0,2,2)
59.40 1.5561 33.7 (1,2,1)
60.67 1.5264 16.8 (0,1,3)
66.48 1.4064 12.8 (1,0,3)
69.15 1.3586 7.6 (2,0,0)
71.41 1.3210 11.9 (0,3,1)
76.30 1.2480 12.7 (2,1,1)
77.41 1.2328 3.0 (0,0,4)
78.07 1.2241 5.9 (1,3,0)
80.77 1.1899 8.0 (2,0,2)
83.22 1.1609 12.9 (1,2,3)
85.70 1.1336 6.2 (2,2,0)
89.36 1.0964 10.1 (1,3,2)
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Energy Properties

Formation Energy/atom
0.12491
eV/atom
Energy/atom
-14.43577
eV/atom
Energy above Hull
0.1249
eV/atom
Uncorrected Energy
-8.2836
eV/atom
Volume/atom
9.19
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0005
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
279.032
GPa
GVRH
161.786
GPa
Young's Modulus E
406.746
GPa
Poisson Ratio ν
0.257
Pugh Ratio K/G
1.725
Vickers Hardness Est.
17.716
GPa
Ductility
Ductile
Anisotropy
1.219
Lame λ
171.175
GPa

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
0.619
Family
Binary Alloy
Matrix Element
N · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.2190
Homogeneous Poisson ν
0.2570
Debye Temperature
720.2
K
Sound Velocity
5,067.3
m/s
Homogeneity
0.2570

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-607371
Reference Citation

The crystal structure and related material properties of RuN2 were obtained from the Materials Project database (MP-ID: mp-607371, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_RuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71709200
_cell_length_b   4.11322200
_cell_length_c   4.93130100
_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   55.11223275
_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  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru1  1  0.50000000  0.50000000  0.50000000  1.0
  N  N2  1  0.50000000  0.37939300  0.90884300  1.0
  N  N3  1  0.00000000  0.12060700  0.40884300  1.0
  N  N4  1  0.50000000  0.62060700  0.09115700  1.0
  N  N5  1  0.00000000  0.87939300  0.59115700  1.0
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