Sr2SO

Elasticity Data ELA

MP-ID: mp-1018030 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

Sr2SO

MP-ID

mp-1018030

Elements

Sites

Density

3.9668

g/cm³

Volume

93.48

Å³

Cell a

4.0432

Cell b

4.0432

Cell c

5.7180

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 16)

2θ	d (Å)	I	hkl
15.50	5.7180	1.1	(0,0,1)
27.01	3.3013	58.4	(1,0,1)
31.29	2.8590	100.0	(1,1,0)
44.83	2.0216	23.5	(2,0,0)
44.83	2.0216	47.0	(1,1,2)
53.12	1.7240	29.3	(2,1,1)
55.68	1.6506	24.0	(2,0,2)
65.27	1.4295	7.3	(2,2,0)
65.27	1.4295	3.7	(0,0,4)
71.99	1.3118	12.4	(3,0,1)
74.16	1.2786	20.2	(3,1,0)
74.16	1.2786	10.1	(1,1,4)
82.68	1.1672	15.2	(3,1,2)
82.68	1.1672	7.6	(2,0,4)
88.94	1.1004	7.4	(3,2,1)
88.94	1.1004	2.5	(1,0,5)

Get direct link

Energy Properties

Formation Energy/atom

-2.51092

eV/atom

Energy/atom

-5.62847

eV/atom

Energy above Hull

0.2235

eV/atom

Uncorrected Energy

-5.3310

eV/atom

Volume/atom

23.37

Å³

c/a Ratio

1.4142

Electronic Properties

Metallic

Non-metal

Band Gap

2.189

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

58.297

GPa

G_VRH

39.690

GPa

Young's Modulus E

97.046

GPa

Poisson Ratio ν

0.223

Pugh Ratio K/G

1.469

Vickers Hardness Est.

7.988

GPa

Ductility

Ductile

Anisotropy

0.164

Lame λ

31.837

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.500

Element Family

Alkali-AlkEarth

Solute Fraction

0.500

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1640

Homogeneous Poisson ν

0.2230

Debye Temperature

696.0

Sound Velocity

3,500.7

m/s

Homogeneity

0.2230

Related Tasks

Related computation task IDs (5)

aaacirhf aaaddilf aaadwkwi aaaeokkf aaafxdvj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018030

Reference Citation

The crystal structure and related material properties of Sr2SO were obtained from the Materials Project database (MP-ID: mp-1018030, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Sr2SO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04323700
_cell_length_b   4.04323700
_cell_length_c   5.71800000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SO
_chemical_formula_sum   'Sr2 S1 O1'
_cell_volume   93.47652278
_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  0.00000000  0.00000000  1.0
  Sr  Sr1  1  0.50000000  0.50000000  0.50000000  1.0
  S  S2  1  0.00000000  0.00000000  0.50000000  1.0
  O  O3  1  0.50000000  0.50000000  0.00000000  1.0

Get direct link