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HEAS Data Platform · Materials Science Database

U2N3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-973 · Space group: P-3m1 (#164)

Basic Information

Formula
U2N3
MP-ID
mp-973
Elements
2
Sites
5
Density
12.5713
g/cm³
Volume
68.43
ų
Cell a
3.7100
Å
Cell b
3.7100
Å
Cell c
5.7410
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
Point Group
-3m
Crystal System
Trigonal
Bravais Lattice
Trigonal P
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
27.77 3.2129 13.1 (1,-1,0,0)
27.77 3.2129 26.3 (1,0,-1,0)
31.16 2.8705 37.8 (0,0,0,2)
31.92 2.8037 50.0 (1,-1,0,1)
31.92 2.8037 100.0 (1,0,-1,1)
42.22 2.1406 10.6 (1,-1,0,2)
42.22 2.1406 21.2 (1,0,-1,2)
49.11 1.8550 26.5 (2,-1,-1,0)
49.11 1.8550 13.2 (1,1,-2,0)
55.92 1.6441 35.9 (1,0,-1,3)
57.36 1.6065 1.8 (2,-2,0,0)
57.36 1.6065 3.7 (2,0,-2,0)
59.32 1.5580 25.7 (2,-1,-1,2)
59.32 1.5580 12.9 (1,1,-2,2)
59.78 1.5470 9.0 (2,-2,0,1)
59.78 1.5470 18.1 (2,0,-2,1)
64.98 1.4353 4.7 (0,0,0,4)
66.72 1.4019 2.8 (2,-2,0,2)
66.72 1.4019 5.5 (2,0,-2,2)
72.07 1.3105 5.7 (1,0,-1,4)
77.59 1.2304 4.9 (2,-2,0,3)
77.59 1.2304 9.7 (2,0,-2,3)
78.81 1.2144 1.5 (3,-2,-1,0)
78.81 1.2144 1.5 (3,-1,-2,0)
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Energy Properties

Formation Energy/atom
-1.71984
eV/atom
Energy/atom
-39.17391
eV/atom
Energy above Hull
0.0272
eV/atom
Uncorrected Energy
-39.1739
eV/atom
Volume/atom
13.69
ų
c/a Ratio
1.5475

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
3.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.043840
μB/ų

Elastic Properties

KVRH
198.589
GPa
GVRH
92.753
GPa
Young's Modulus E
240.774
GPa
Poisson Ratio ν
0.298
Pugh Ratio K/G
2.141
Vickers Hardness Est.
8.617
GPa
Ductility
Brittle
Anisotropy
0.568
Lame λ
136.754
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
N · 0.600
Element Family
N/A
Solute Fraction
0.400
Interstitial Fraction
0.600

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.569
Family
Binary Alloy
Matrix Element
N · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.5680
Homogeneous Poisson ν
0.2980
Debye Temperature
871.9
K
Sound Velocity
3,033.2
m/s
Homogeneity
0.2980

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-973
Reference Citation

The crystal structure and related material properties of U2N3 were obtained from the Materials Project database (MP-ID: mp-973, 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_U2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70998015
_cell_length_b   3.70998015
_cell_length_c   5.74102568
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00002163
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2N3
_chemical_formula_sum   'U2 N3'
_cell_volume   68.43262496
_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
  U  U0  1  0.33333300  0.66666700  0.24128464  1.0
  U  U1  1  0.66666700  0.33333300  0.75871536  1.0
  N  N2  1  -0.00000000  0.00000000  0.00000000  1.0
  N  N3  1  0.33333300  0.66666700  0.64758232  1.0
  N  N4  1  0.66666700  0.33333300  0.35241768  1.0
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