PrN

弹性数据 ELA

MP-ID: mp-1009639 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

PrN

MP-ID

mp-1009639

Elements

Sites

Density

5.9691

g/cm³

Volume

43.10

Å³

Cell a

3.9354

Cell b

3.9354

Cell c

3.9354

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

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 9)

2θ	d (Å)	I	hkl
27.76	3.2132	100.0	(1,1,1)
32.17	2.7827	41.1	(1,1,0)
46.13	1.9677	43.7	(2,1,1)
54.70	1.6780	45.1	(2,2,1)
57.35	1.6066	11.1	(2,2,2)
67.29	1.3914	6.8	(2,2,0)
74.28	1.2768	18.0	(3,1,1)
76.56	1.2445	14.4	(3,2,1)
85.47	1.1360	14.3	(3,3,2)

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Energy Properties

Formation Energy/atom

-1.42687

eV/atom

Energy/atom

-20.69322

eV/atom

Energy above Hull

0.1189

eV/atom

Uncorrected Energy

-7.7232

eV/atom

Volume/atom

21.55

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

1.558

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0001

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

94.434

GPa

G_VRH

24.783

GPa

Young's Modulus E

68.368

GPa

Poisson Ratio ν

0.379

Pugh Ratio K/G

3.810

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

1.206

Lame λ

77.912

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pr · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.500

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.2060

Homogeneous Poisson ν

0.3790

Debye Temperature

548.1

Sound Velocity

2,300.1

m/s

Homogeneity

0.3790

Related Tasks

Related computation task IDs (6)

aaacifti aaacloec aaadrjgg aaadxwsq aaaeojku aaafbomk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1009639

Reference Citation

The crystal structure and related material properties of PrN were obtained from the Materials Project database (MP-ID: mp-1009639, 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…

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Raw CIF Data

# generated using pymatgen
data_PrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93534764
_cell_length_b   3.93534764
_cell_length_c   3.93534764
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrN
_chemical_formula_sum   'Pr1 N1'
_cell_volume   43.09573678
_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  0.25000000  0.25000000  0.25000000  1.0

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