Sr3PN

Elasticity Data ELA

MP-ID: mp-1013554 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sr3PN

MP-ID

mp-1013554

Elements

Sites

Density

3.9476

g/cm³

Volume

129.49

Å³

Cell a

5.0592

Cell b

5.0592

Cell c

5.0592

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

Stability

Yes

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 18)

2θ	d (Å)	I	hkl
17.53	5.0592	18.3	(1,0,0)
24.89	3.5774	5.4	(1,1,0)
30.61	2.9209	100.0	(1,1,1)
35.49	2.5296	60.4	(2,0,0)
39.84	2.2625	9.3	(2,1,0)
43.83	2.0654	3.0	(2,1,1)
51.06	1.7887	41.1	(2,2,0)
54.41	1.6864	4.5	(2,2,1)
57.61	1.5999	1.4	(3,1,0)
60.71	1.5254	42.0	(3,1,1)
63.72	1.4605	13.9	(2,2,2)
66.65	1.4032	1.9	(3,2,0)
69.52	1.3521	1.7	(3,2,1)
75.11	1.2648	6.5	(4,0,0)
77.85	1.2270	2.4	(3,2,2)
83.24	1.1607	17.7	(3,3,1)
85.92	1.1313	18.6	(4,2,0)
88.58	1.1040	1.7	(4,2,1)

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Energy Properties

Formation Energy/atom

-0.95272

eV/atom

Energy/atom

-13.66628

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.6663

eV/atom

Volume/atom

25.90

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.520

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

49.284

GPa

G_VRH

39.817

GPa

Young's Modulus E

94.108

GPa

Poisson Ratio ν

0.182

Pugh Ratio K/G

1.238

Vickers Hardness Est.

10.449

GPa

Ductility

Ductile

Anisotropy

0.179

Lame λ

22.739

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.600

Element Family

Alkali-AlkEarth

Solute Fraction

0.400

Interstitial Fraction

0.400

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1790

Homogeneous Poisson ν

0.1820

Debye Temperature

668.4

Sound Velocity

3,499.4

m/s

Homogeneity

0.1820

Related Tasks

Related computation task IDs (5)

aaadoouv aaadwfgb aaaegvit aaaeovup aaafbjcx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1013554

Reference Citation

The crystal structure and related material properties of Sr3PN were obtained from the Materials Project database (MP-ID: mp-1013554, 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_Sr3PN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05920313
_cell_length_b   5.05920313
_cell_length_c   5.05920313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3PN
_chemical_formula_sum   'Sr3 P1 N1'
_cell_volume   129.49301742
_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
  Sr  Sr0  1  -0.00000000  0.50000000  0.50000000  1.0
  Sr  Sr1  1  0.50000000  -0.00000000  0.50000000  1.0
  Sr  Sr2  1  0.50000000  0.50000000  -0.00000000  1.0
  P  P3  1  0.00000000  -0.00000000  0.00000000  1.0
  N  N4  1  0.50000000  0.50000000  0.50000000  1.0

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