Sr3AsN

Elasticity Data ELA

MP-ID: mp-1013555 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sr3AsN

MP-ID

mp-1013555

Elements

Sites

Density

4.4150

g/cm³

Volume

132.31

Å³

Cell a

5.0957

Cell b

5.0957

Cell c

5.0957

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 9)

2θ	d (Å)	I	hkl
17.40	5.0957	1.9	(1,0,0)
30.38	2.9420	100.0	(1,1,1)
35.23	2.5478	59.3	(2,0,0)
50.67	1.8016	40.8	(2,2,0)
60.23	1.5364	42.6	(3,1,1)
63.21	1.4710	13.8	(2,2,2)
74.48	1.2739	6.4	(4,0,0)
82.52	1.1690	17.7	(3,3,1)
85.15	1.1394	18.3	(4,2,0)

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Energy Properties

Formation Energy/atom

-1.05206

eV/atom

Energy/atom

-14.90671

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.9067

eV/atom

Volume/atom

26.46

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.422

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

47.628

GPa

G_VRH

39.085

GPa

Young's Modulus E

92.070

GPa

Poisson Ratio ν

0.178

Pugh Ratio K/G

1.219

Vickers Hardness Est.

10.549

GPa

Ductility

Ductile

Anisotropy

0.101

Lame λ

21.571

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

0.200

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1010

Homogeneous Poisson ν

0.1780

Debye Temperature

958.5

Sound Velocity

3,277.1

m/s

Homogeneity

0.1780

Related Tasks

Related computation task IDs (6)

aaadjqmp aaadolzj aaadwgeu aaaeikuo aaaeprnt aaafbinl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1013555

Reference Citation

The crystal structure and related material properties of Sr3AsN were obtained from the Materials Project database (MP-ID: mp-1013555, 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_Sr3AsN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09566939
_cell_length_b   5.09566939
_cell_length_c   5.09566939
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3AsN
_chemical_formula_sum   'Sr3 As1 N1'
_cell_volume   132.31336936
_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
  As  As3  1  -0.00000000  -0.00000000  -0.00000000  1.0
  N  N4  1  0.50000000  0.50000000  0.50000000  1.0

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