RuN

传统材料 TRA

MP-ID: mp-999195 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

RuN

MP-ID

mp-999195

Elements

Sites

Density

9.4737

g/cm³

Volume

40.34

Å³

Cell a

2.9972

Cell b

2.9972

Cell c

5.1853

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

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 17)

2θ	d (Å)	I	hkl
34.56	2.5957	100.0	(1,0,-1,0)
34.56	2.5957	50.0	(1,-1,0,0)
34.60	2.5927	43.0	(0,0,0,2)
38.80	2.3211	2.0	(1,0,-1,1)
49.70	1.8344	89.5	(1,0,-1,2)
49.70	1.8344	44.8	(1,-1,0,2)
61.92	1.4986	12.4	(1,1,-2,0)
61.92	1.4986	24.7	(2,-1,-1,0)
72.88	1.2978	11.3	(2,0,-2,0)
72.88	1.2978	5.7	(2,-2,0,0)
72.91	1.2975	10.2	(1,1,-2,2)
72.91	1.2975	20.4	(2,-1,-1,2)
72.98	1.2963	7.4	(0,0,0,4)
83.25	1.1606	19.0	(2,0,-2,2)
83.25	1.1606	9.5	(2,-2,0,2)
83.32	1.1597	15.9	(1,0,-1,4)
83.32	1.1597	7.9	(1,-1,0,4)

Get direct link

Energy Properties

Formation Energy/atom

0.49699

eV/atom

Energy/atom

-16.77966

eV/atom

Energy above Hull

0.4970

eV/atom

Uncorrected Energy

-8.1280

eV/atom

Volume/atom

10.09

Å³

c/a Ratio

1.7300

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2408

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.005970

μB/Å³

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

Score

0.424

Family

Binary Alloy

Matrix Element

Ru · 0.500

Related Tasks

Related computation task IDs (5)

aaacinuq aaadwllz aaadycas aaaetrky aaafxbvv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-999195

Reference Citation

The crystal structure and related material properties of RuN were obtained from the Materials Project database (MP-ID: mp-999195, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_RuN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99723109
_cell_length_b   2.99723109
_cell_length_c   5.18532200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99997987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuN
_chemical_formula_sum   'Ru2 N2'
_cell_volume   40.34102302
_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  0.50000000  1.0
  Ru  Ru1  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

Get direct link