Sr2MgSi2O7

Elasticity Data ELA

MP-ID: mp-6564 · Space group: P-42_1m (#113)

Materials Project API

Basic Information

Formula

Sr2MgSi2O7

MP-ID

mp-6564

Elements

Sites

Density

3.5637

g/cm³

Volume

342.67

Å³

Cell a

8.0972

Cell b

8.0972

Cell c

5.2265

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P-42_1m

Point Group

-42m

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
15.48	5.7256	11.1	(1,1,0)
16.96	5.2265	5.4	(0,0,1)
20.22	4.3912	1.6	(1,0,1)
21.95	4.0486	7.7	(2,0,0)
23.04	3.8601	8.9	(1,1,1)
24.58	3.6212	5.1	(2,1,0)
27.88	3.2007	23.4	(2,0,1)
30.02	2.9766	100.0	(2,1,1)
31.24	2.8628	2.7	(2,2,0)
34.32	2.6133	6.2	(0,0,2)
35.04	2.5606	15.6	(3,1,0)
35.76	2.5108	2.0	(2,2,1)
36.12	2.4870	3.3	(1,0,2)
37.50	2.3982	3.6	(3,0,1)
37.84	2.3774	1.5	(1,1,2)
39.18	2.2994	4.3	(3,1,1)
41.11	2.1956	2.8	(2,0,2)
42.67	2.1191	21.7	(2,1,2)
44.77	2.0243	5.2	(4,0,0)
46.23	1.9639	10.3	(4,1,0)
47.09	1.9301	2.9	(2,2,2)
47.65	1.9085	11.8	(3,3,0)
48.21	1.8877	2.1	(4,0,1)
49.59	1.8384	13.8	(4,1,1)

Get direct link

Energy Properties

Formation Energy/atom

-3.39885

eV/atom

Energy/atom

-7.60732

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.2066

eV/atom

Volume/atom

14.28

Å³

c/a Ratio

0.6455

Electronic Properties

Metallic

Non-metal

Band Gap

4.497

Direct Gap

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

86.466

GPa

G_VRH

43.679

GPa

Young's Modulus E

112.152

GPa

Poisson Ratio ν

0.284

Pugh Ratio K/G

1.980

Vickers Hardness Est.

5.196

GPa

Ductility

Brittle

Anisotropy

0.134

Lame λ

57.347

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.583

Element Family

Metalloid-Nonmetal

Solute Fraction

0.417

Interstitial Fraction

0.167

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1340

Homogeneous Poisson ν

0.2840

Debye Temperature

794.5

Sound Velocity

3,902.6

m/s

Homogeneity

0.2840

Related Tasks

Related computation task IDs (6)

aaabvyvs aaadjvcv aaadrgdc aaaeassk aaaepnbe aaafazcq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-6564

Reference Citation

The crystal structure and related material properties of Sr2MgSi2O7 were obtained from the Materials Project database (MP-ID: mp-6564, 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_Sr2MgSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09718000
_cell_length_b   8.09718000
_cell_length_c   5.22654000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgSi2O7
_chemical_formula_sum   'Sr4 Mg2 Si4 O14'
_cell_volume   342.67456171
_cell_formula_units_Z   2
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  0.66614400  0.16614400  0.50787900  1.0
  Sr  Sr1  1  0.83385600  0.66614400  0.49212100  1.0
  Sr  Sr2  1  0.16614400  0.33385600  0.49212100  1.0
  Sr  Sr3  1  0.33385600  0.83385600  0.50787900  1.0
  Mg  Mg4  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg5  1  0.50000000  0.50000000  0.00000000  1.0
  Si  Si6  1  0.86130200  0.36130200  0.94352300  1.0
  Si  Si7  1  0.13869800  0.63869800  0.94352300  1.0
  Si  Si8  1  0.63869800  0.86130200  0.05647700  1.0
  Si  Si9  1  0.36130200  0.13869800  0.05647700  1.0
  O  O10  1  0.68990400  0.42045000  0.80149600  1.0
  O  O11  1  0.31009600  0.57955000  0.80149600  1.0
  O  O12  1  0.42045000  0.31009600  0.19850400  1.0
  O  O13  1  0.57955000  0.68990400  0.19850400  1.0
  O  O14  1  0.92045000  0.18990400  0.80149600  1.0
  O  O15  1  0.81009600  0.92045000  0.19850400  1.0
  O  O16  1  0.18990400  0.07955000  0.19850400  1.0
  O  O17  1  0.07955000  0.81009600  0.80149600  1.0
  O  O18  1  0.85997100  0.35997100  0.25353600  1.0
  O  O19  1  0.64002900  0.85997100  0.74646400  1.0
  O  O20  1  0.50000000  0.00000000  0.16477200  1.0
  O  O21  1  0.00000000  0.50000000  0.83522800  1.0
  O  O22  1  0.14002900  0.64002900  0.25353600  1.0
  O  O23  1  0.35997100  0.14002900  0.74646400  1.0

Get direct link