PrN
Traditional Materials TRAMP-ID: mp-1009649 · Space group: P-6m2 (#187)
Basic Information
Formula
PrN
MP-ID
mp-1009649
Elements
2
Sites
2
Density
7.3349
g/cm³
Volume
35.07
ų
Cell a
3.5451
Å
Cell b
3.5451
Å
Cell c
3.2223
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 27.68 | 3.2223 | 50.2 | (0,0,0,1) |
| 29.09 | 3.0701 | 100.0 | (1,0,-1,0) |
| 29.09 | 3.0701 | 50.0 | (1,-1,0,0) |
| 40.59 | 2.2228 | 98.4 | (1,0,-1,1) |
| 40.59 | 2.2228 | 49.2 | (1,-1,0,1) |
| 51.56 | 1.7725 | 13.0 | (1,1,-2,0) |
| 51.56 | 1.7725 | 26.1 | (2,-1,-1,0) |
| 57.17 | 1.6112 | 9.5 | (0,0,0,2) |
| 59.52 | 1.5531 | 12.4 | (1,1,-2,1) |
| 59.52 | 1.5531 | 24.9 | (2,-1,-1,1) |
| 60.29 | 1.5351 | 13.0 | (2,0,-2,0) |
| 60.29 | 1.5351 | 6.5 | (2,-2,0,0) |
| 65.42 | 1.4266 | 20.3 | (1,0,-1,2) |
| 65.42 | 1.4266 | 10.2 | (1,-1,0,2) |
| 67.60 | 1.3858 | 21.2 | (2,0,-2,1) |
| 67.60 | 1.3858 | 10.6 | (2,-2,0,1) |
| 80.57 | 1.1922 | 6.9 | (1,1,-2,2) |
| 80.57 | 1.1922 | 13.7 | (2,-1,-1,2) |
| 83.27 | 1.1604 | 5.3 | (2,1,-3,0) |
| 83.27 | 1.1604 | 5.3 | (3,-1,-2,0) |
| 83.27 | 1.1604 | 5.3 | (3,-2,-1,0) |
| 87.84 | 1.1114 | 9.4 | (2,0,-2,2) |
| 87.84 | 1.1114 | 4.7 | (2,-2,0,2) |
| 89.84 | 1.0918 | 20.5 | (3,-1,-2,1) |
Energy Properties
Formation Energy/atom
-1.18891
eV/atom
Energy/atom
-20.45527
eV/atom
Energy above Hull
0.3569
eV/atom
Uncorrected Energy
-7.4852
eV/atom
Volume/atom
17.54
ų
c/a Ratio
0.9089
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Pr · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.500
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.424
Family
Binary Alloy
Matrix Element
Pr · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1009649
Reference Citation
The crystal structure and related material properties of PrN were obtained from the Materials Project database (MP-ID: mp-1009649, 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_PrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54508554
_cell_length_b 3.54508554
_cell_length_c 3.22229400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999136
_symmetry_Int_Tables_number 1
_chemical_formula_structural PrN
_chemical_formula_sum 'Pr1 N1'
_cell_volume 35.07109042
_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
Pr Pr0 1 0.00000000 0.00000000 0.00000000 1.0
N N1 1 0.66666700 0.33333300 0.50000000 1.0
