Basic Information
Formula
ReN
MP-ID
mp-1002207
Elements
2
Sites
2
Density
16.6285
g/cm³
Volume
19.99
ų
Cell a
2.7141
Å
Cell b
2.7141
Å
Cell c
2.7141
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
No
Packing Fraction
0.5236
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 6)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 33.00 | 2.7141 | 100.0 | (1,0,0) |
| 47.37 | 1.9192 | 98.0 | (1,1,0) |
| 58.94 | 1.5670 | 27.0 | (1,1,1) |
| 69.23 | 1.3571 | 15.6 | (2,0,0) |
| 78.86 | 1.2138 | 35.8 | (2,1,0) |
| 88.17 | 1.1080 | 34.0 | (2,1,1) |
Energy Properties
Formation Energy/atom
1.07390
eV/atom
Energy/atom
-29.69578
eV/atom
Energy above Hull
1.1332
eV/atom
Uncorrected Energy
-9.2111
eV/atom
Volume/atom
10.00
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
361.490
GPa
GVRH
59.704
GPa
Young's Modulus E
169.766
GPa
Poisson Ratio ν
0.422
Pugh Ratio K/G
6.055
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
111.759
Lame λ
321.687
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Re · 0.500
Element Family
5d-TM
Solute Fraction
0.500
Interstitial Fraction
0.500
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
111.7590
Homogeneous Poisson ν
0.4220
Debye Temperature
297.2
K
Sound Velocity
2,151.4
m/s
Homogeneity
0.4220
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1002207
Reference Citation
The crystal structure and related material properties of ReN were obtained from the Materials Project database (MP-ID: mp-1002207, 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 2.71412400
_cell_length_b 2.71412400
_cell_length_c 2.71412400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReN
_chemical_formula_sum 'Re1 N1'
_cell_volume 19.99351055
_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
Re Re0 1 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.50000000 0.50000000 0.50000000 1.0
