Basic Information
Formula
ReN
MP-ID
mp-999266
Elements
2
Sites
4
Density
16.5913
g/cm³
Volume
40.08
ų
Cell a
2.7963
Å
Cell b
2.7963
Å
Cell c
5.9184
Å
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
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 14)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 30.20 | 2.9592 | 48.8 | (0,0,0,2) |
| 37.13 | 2.4216 | 92.8 | (1,0,-1,0) |
| 48.58 | 1.8741 | 100.0 | (1,0,-1,2) |
| 62.80 | 1.4796 | 8.1 | (0,0,0,4) |
| 66.93 | 1.3981 | 6.7 | (1,1,-2,0) |
| 66.93 | 1.3981 | 13.4 | (2,-1,-1,0) |
| 75.16 | 1.2641 | 7.9 | (1,1,-2,2) |
| 75.16 | 1.2641 | 15.7 | (2,-1,-1,2) |
| 75.26 | 1.2626 | 16.5 | (1,0,-1,4) |
| 75.26 | 1.2626 | 8.3 | (1,-1,0,4) |
| 79.09 | 1.2108 | 7.3 | (2,0,-2,0) |
| 79.09 | 1.2108 | 3.6 | (2,-2,0,0) |
| 86.93 | 1.1206 | 13.0 | (2,0,-2,2) |
| 86.93 | 1.1206 | 6.5 | (2,-2,0,2) |
Energy Properties
Formation Energy/atom
0.31519
eV/atom
Energy/atom
-30.45449
eV/atom
Energy above Hull
0.3745
eV/atom
Uncorrected Energy
-9.9698
eV/atom
Volume/atom
10.02
ų
c/a Ratio
2.1165
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0117
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000290
μB/ų
Elastic Properties
KVRH
392.349
GPa
GVRH
212.910
GPa
Young's Modulus E
540.891
GPa
Poisson Ratio ν
0.270
Pugh Ratio K/G
1.843
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
0.105
Lame λ
250.409
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 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
Re · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-999266
Reference Citation
The crystal structure and related material properties of ReN were obtained from the Materials Project database (MP-ID: mp-999266, 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_ReN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.79627372
_cell_length_b 2.79627372
_cell_length_c 5.91837700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999344
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReN
_chemical_formula_sum 'Re2 N2'
_cell_volume 40.07676424
_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
Re Re0 1 0.00000000 0.00000000 0.50000000 1.0
Re Re1 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
