Mg2Sn9O13

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1045725 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Mg2Sn9O13

MP-ID

mp-1045725

Elements

Sites

Density

5.6832

g/cm³

Volume

387.14

Å³

Cell a

8.1907

Cell b

8.1907

Cell c

15.7824

α Angle

72.92

β Angle

72.92

γ Angle

22.53

Space Group

C2/m

Point Group

2/m

Crystal System

Monoclinic

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 24)

2θ	d (Å)	I	hkl
5.87	15.0581	1.4	(0,0,1)
11.28	7.8459	7.1	(1,1,1)
11.55	7.6642	24.1	(1,1,0)
13.80	6.4169	10.5	(1,1,2)
17.99	4.9298	10.9	(1,1,3)
22.67	3.9230	38.5	(2,2,2)
22.99	3.8683	25.4	(1,1,4)
23.21	3.8321	1.4	(2,2,0)
23.63	3.7645	46.9	(0,0,4)
23.92	3.7195	6.8	(1,1,-3)
24.65	3.6119	22.1	(2,2,3)
25.65	3.4735	2.2	(2,2,-1)
28.41	3.1414	26.8	(1,1,5)
28.49	3.1330	10.3	(1,0,0)
28.75	3.1055	4.4	(1,0,1)
29.14	3.0643	76.2	(2,2,-2)
29.47	3.0306	8.9	(1,0,-1)
29.66	3.0116	18.2	(0,0,5)
30.22	2.9575	15.6	(1,0,2)
31.82	2.8121	1.4	(2,2,5)
32.60	2.7467	100.0	(2,1,1)
33.02	2.7124	5.0	(2,1,0)
33.28	2.6920	32.5	(2,1,2)
33.50	2.6753	11.6	(3,3,2)

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Energy Properties

Formation Energy/atom

-1.88614

eV/atom

Energy/atom

-6.20575

eV/atom

Energy above Hull

0.1057

eV/atom

Uncorrected Energy

-5.8336

eV/atom

Volume/atom

16.13

Å³

c/a Ratio

1.9269

Electronic Properties

Metallic

Metal

Band Gap

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.542

Element Family

Metalloid-Nonmetal

Solute Fraction

0.458

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9070

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.5407

J/mol·K

Ω Parameter

1.1161

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

45.108%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8142

smaller = more stable mixing

VEC

3.833

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8256

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.497

Family

O-rich Multi-Component

Matrix Element

O · 0.542

Related Tasks

Related computation task IDs (2)

aaachmzp aaaeaudv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1045725

Reference Citation

The crystal structure and related material properties of Mg2Sn9O13 were obtained from the Materials Project database (MP-ID: mp-1045725, 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_Mg2Sn9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19071130
_cell_length_b   8.19071130
_cell_length_c   15.78239638
_cell_angle_alpha   72.92132464
_cell_angle_beta   72.92132464
_cell_angle_gamma   22.53382921
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Sn9O13
_chemical_formula_sum   'Mg2 Sn9 O13'
_cell_volume   387.14433746
_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  0.37215400  0.37215400  0.76444300  1.0
  Mg  Mg1  1  0.62784600  0.62784600  0.23555700  1.0
  Sn  Sn2  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn3  1  0.67367200  0.67367200  0.88949500  1.0
  Sn  Sn4  1  0.32632800  0.32632800  0.11050500  1.0
  Sn  Sn5  1  0.79545900  0.79545900  0.62292100  1.0
  Sn  Sn6  1  0.20454100  0.20454100  0.37707900  1.0
  Sn  Sn7  1  0.96847300  0.96847300  0.88685200  1.0
  Sn  Sn8  1  0.03152700  0.03152700  0.11314800  1.0
  Sn  Sn9  1  0.08893200  0.08893200  0.67340600  1.0
  Sn  Sn10  1  0.91106800  0.91106800  0.32659400  1.0
  O  O11  1  0.00000000  0.00000000  0.00000000  1.0
  O  O12  1  0.95876400  0.95876400  0.75349100  1.0
  O  O13  1  0.04123600  0.04123600  0.24650900  1.0
  O  O14  1  0.38169700  0.38169700  0.90330000  1.0
  O  O15  1  0.61830300  0.61830300  0.09670000  1.0
  O  O16  1  0.56395000  0.56395000  0.83735500  1.0
  O  O17  1  0.43605000  0.43605000  0.16264500  1.0
  O  O18  1  0.78293400  0.78293400  0.76142600  1.0
  O  O19  1  0.21706600  0.21706600  0.23857400  1.0
  O  O20  1  0.39249900  0.39249900  0.61706700  1.0
  O  O21  1  0.60750100  0.60750100  0.38293300  1.0
  O  O22  1  0.05952800  0.05952800  0.54715900  1.0
  O  O23  1  0.94047200  0.94047200  0.45284100  1.0

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