Mg(SnO2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1044619 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Mg(SnO2)2

MP-ID

mp-1044619

Elements

Sites

Density

5.3525

g/cm³

Volume

606.31

Å³

Cell a

6.6135

Cell b

6.6135

Cell c

15.9906

α Angle

89.43

β Angle

89.43

γ Angle

60.11

Space Group

Point Group

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
5.53	15.9896	2.2	(0,0,0,1)
11.07	7.9948	1.3	(0,0,0,2)
15.45	5.7335	7.0	(1,0,-1,0)
15.48	5.7241	4.3	(1,1,-2,0)
16.39	5.4088	2.5	(1,1,-2,1)
16.39	5.4068	73.6	(1,0,-1,1)
16.45	5.3872	5.4	(1,0,-1,-1)
16.51	5.3697	42.4	(1,1,-2,-1)
16.63	5.3299	100.0	(0,0,0,3)
18.96	4.6795	1.4	(1,1,-2,2)
19.00	4.6719	6.2	(1,0,-1,2)
19.10	4.6466	3.2	(1,0,-1,-2)
19.17	4.6292	5.7	(1,1,-2,-2)
22.24	3.9974	1.5	(0,0,0,4)
22.67	3.9231	1.0	(1,1,-2,3)
22.71	3.9149	5.8	(1,0,-1,3)
22.85	3.8926	1.9	(1,0,-1,-3)
22.93	3.8787	1.8	(1,1,-2,-3)
26.92	3.3120	1.6	(1,-1,0,0)
26.96	3.3066	2.9	(2,1,-3,0)
27.12	3.2879	12.6	(1,0,-1,4)
27.36	3.2599	6.3	(1,1,-2,-4)
31.20	2.8667	2.0	(2,0,-2,0)
31.25	2.8620	1.0	(2,2,-4,0)

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Energy Properties

Formation Energy/atom

-1.97949

eV/atom

Energy/atom

-6.18541

eV/atom

Energy above Hull

0.2701

eV/atom

Uncorrected Energy

-5.7928

eV/atom

Volume/atom

14.44

Å³

c/a Ratio

2.4179

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.1335

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000220

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.9353

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

46.468%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8633

smaller = more stable mixing

VEC

3.714

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.612

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.382

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (2)

aaachljm aaaeemqo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1044619

Reference Citation

The crystal structure and related material properties of Mg(SnO2)2 were obtained from the Materials Project database (MP-ID: mp-1044619, 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…

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Raw CIF Data

# generated using pymatgen
data_Mg(SnO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61352835
_cell_length_b   6.61352835
_cell_length_c   15.99061967
_cell_angle_alpha   89.43365818
_cell_angle_beta   89.43365818
_cell_angle_gamma   60.10566330
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(SnO2)2
_chemical_formula_sum   'Mg6 Sn12 O24'
_cell_volume   606.31102988
_cell_formula_units_Z   6
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  0.83279200  0.83279200  0.04777300  1.0
  Mg  Mg1  1  0.50614200  0.50614200  0.38324400  1.0
  Mg  Mg2  1  0.50000900  0.50000900  0.99970700  1.0
  Mg  Mg3  1  0.17183800  0.17183800  0.71693200  1.0
  Mg  Mg4  1  0.82876800  0.82876800  0.28134800  1.0
  Mg  Mg5  1  0.49396600  0.49396600  0.61986600  1.0
  Sn  Sn6  1  0.33665100  0.82536600  0.16398000  1.0
  Sn  Sn7  1  0.33710800  0.33710800  0.16400600  1.0
  Sn  Sn8  1  0.00097600  0.50153200  0.49939800  1.0
  Sn  Sn9  1  0.82536600  0.33665100  0.16398000  1.0
  Sn  Sn10  1  0.16398400  0.16398400  0.33052400  1.0
  Sn  Sn11  1  0.00194800  0.00194800  0.49945900  1.0
  Sn  Sn12  1  0.66673300  0.17059400  0.83452500  1.0
  Sn  Sn13  1  0.50153200  0.00097600  0.49939800  1.0
  Sn  Sn14  1  0.17059400  0.66673300  0.83452500  1.0
  Sn  Sn15  1  0.83706800  0.83706800  0.66554200  1.0
  Sn  Sn16  1  0.66550700  0.66550700  0.83430900  1.0
  Sn  Sn17  1  0.16642800  0.16642800  0.94854000  1.0
  O  O18  1  0.65229900  0.65229900  0.08161200  1.0
  O  O19  1  0.49611100  0.49611100  0.24702500  1.0
  O  O20  1  0.19752100  0.64828100  0.08248100  1.0
  O  O21  1  0.64828100  0.19752100  0.08248100  1.0
  O  O22  1  0.00169900  0.50308400  0.22963300  1.0
  O  O23  1  0.32969900  0.32969900  0.42907000  1.0
  O  O24  1  0.50308400  0.00169900  0.22963300  1.0
  O  O25  1  0.16831900  0.16831900  0.10442600  1.0
  O  O26  1  0.83776100  0.36066600  0.42603100  1.0
  O  O27  1  0.17850600  0.17850600  0.57829600  1.0
  O  O28  1  0.99548800  0.99548800  0.23112600  1.0
  O  O29  1  0.36066600  0.83776100  0.42603100  1.0
  O  O30  1  0.63168500  0.16175400  0.57937000  1.0
  O  O31  1  0.00826600  0.00826600  0.77073800  1.0
  O  O32  1  0.16175400  0.63168500  0.57937000  1.0
  O  O33  1  0.81576200  0.81576200  0.41863200  1.0
  O  O34  1  0.83314000  0.83314000  0.90987100  1.0
  O  O35  1  0.49015800  0.00408700  0.77319500  1.0
  O  O36  1  0.67422100  0.67422100  0.57319000  1.0
  O  O37  1  0.00408700  0.49015800  0.77319500  1.0
  O  O38  1  0.36507200  0.77343500  0.91078200  1.0
  O  O39  1  0.50263100  0.50263100  0.75454000  1.0
  O  O40  1  0.77343500  0.36507200  0.91078200  1.0
  O  O41  1  0.36195800  0.36195800  0.91144300  1.0

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