MgSnO3

Elasticity Data ELA

MP-ID: mp-1016820 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

MgSnO3

MP-ID

mp-1016820

Elements

Sites

Density

4.8634

g/cm³

Volume

65.22

Å³

Cell a

4.0252

Cell b

4.0252

Cell c

4.0252

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

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 12)

2θ	d (Å)	I	hkl
22.08	4.0252	90.3	(1,0,0)
31.43	2.8463	100.0	(1,1,0)
38.75	2.3240	5.1	(1,1,1)
45.04	2.0126	41.1	(2,0,0)
50.71	1.8001	39.1	(2,1,0)
55.96	1.6433	42.1	(2,1,1)
65.60	1.4231	25.1	(2,2,0)
70.14	1.3417	18.9	(3,0,0)
74.55	1.2729	19.1	(3,1,0)
78.87	1.2137	4.1	(3,1,1)
83.13	1.1620	8.5	(2,2,2)
87.35	1.1164	9.1	(3,2,0)

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Energy Properties

Formation Energy/atom

-1.86647

eV/atom

Energy/atom

-5.96325

eV/atom

Energy above Hull

0.6299

eV/atom

Uncorrected Energy

-5.5511

eV/atom

Volume/atom

13.04

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.835

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

154.103

GPa

G_VRH

69.680

GPa

Young's Modulus E

181.660

GPa

Poisson Ratio ν

0.304

Pugh Ratio K/G

2.212

Vickers Hardness Est.

6.461

GPa

Ductility

Brittle

Anisotropy

0.618

Lame λ

107.650

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.6180

Homogeneous Poisson ν

0.3040

Debye Temperature

589.0

Sound Velocity

4,229.8

m/s

Homogeneity

0.3040

Related Tasks

Related computation task IDs (2)

aaacfwim aaaddrak

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016820

Reference Citation

The crystal structure and related material properties of MgSnO3 were obtained from the Materials Project database (MP-ID: mp-1016820, 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_MgSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02523400
_cell_length_b   4.02523400
_cell_length_c   4.02523400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnO3
_chemical_formula_sum   'Mg1 Sn1 O3'
_cell_volume   65.21888912
_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
  Mg  Mg0  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.50000000  0.50000000  0.00000000  1.0
  O  O3  1  0.50000000  0.00000000  0.50000000  1.0
  O  O4  1  0.00000000  0.50000000  0.50000000  1.0

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