Mg14CoSnO16
High-Entropy Materials HEAMP-ID: mp-1035080 · Space group: P4/mmm (#123)
Basic Information
Formula
Mg14CoSnO16
MP-ID
mp-1035080
Elements
4
Sites
32
Density
3.9599
g/cm³
Volume
324.53
ų
Cell a
8.6754
Å
Cell b
8.6754
Å
Cell c
4.3119
Å
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
tP
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 10.20 | 8.6754 | 8.6 | (1,0,0) |
| 14.44 | 6.1345 | 29.4 | (1,1,0) |
| 20.47 | 4.3377 | 17.9 | (2,0,0) |
| 20.60 | 4.3119 | 8.5 | (0,0,1) |
| 22.92 | 3.8798 | 5.0 | (2,1,0) |
| 23.03 | 3.8613 | 4.8 | (1,0,1) |
| 25.25 | 3.5276 | 19.7 | (1,1,1) |
| 29.11 | 3.0672 | 7.6 | (2,2,0) |
| 29.20 | 3.0581 | 14.8 | (2,0,1) |
| 30.92 | 2.8918 | 3.3 | (3,0,0) |
| 31.01 | 2.8841 | 7.0 | (2,1,1) |
| 32.64 | 2.7434 | 13.3 | (3,1,0) |
| 35.93 | 2.4994 | 37.7 | (2,2,1) |
| 37.37 | 2.4061 | 1.8 | (3,2,0) |
| 37.45 | 2.4017 | 1.8 | (3,0,1) |
| 38.91 | 2.3146 | 14.4 | (3,1,1) |
| 41.64 | 2.1689 | 100.0 | (4,0,0) |
| 41.90 | 2.1560 | 50.0 | (0,0,2) |
| 44.30 | 2.0448 | 4.2 | (3,3,0) |
| 44.55 | 2.0340 | 3.9 | (1,1,2) |
| 46.83 | 1.9399 | 4.0 | (4,2,0) |
| 46.89 | 1.9376 | 4.0 | (4,0,1) |
| 47.07 | 1.9306 | 4.1 | (2,0,2) |
| 48.12 | 1.8910 | 1.7 | (4,1,1) |
Energy Properties
Formation Energy/atom
-2.73401
eV/atom
Energy/atom
-6.26954
eV/atom
Energy above Hull
0.1273
eV/atom
Uncorrected Energy
-5.8749
eV/atom
Volume/atom
10.14
ų
c/a Ratio
0.4970
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.3333
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.007190
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9249
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.6892
J/mol·K
Ω Parameter
1.5634
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
45.113%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0368
smaller = more stable mixing
VEC
3.281
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-2.470
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6671
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1035080
Reference Citation
The crystal structure and related material properties of Mg14CoSnO16 were obtained from the Materials Project database (MP-ID: mp-1035080, 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_Mg14CoSnO16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67543533
_cell_length_b 8.67543533
_cell_length_c 4.31190654
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg14CoSnO16
_chemical_formula_sum 'Mg14 Co1 Sn1 O16'
_cell_volume 324.52779015
_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 0.50000000 0.00000000 1.0
Mg Mg1 1 0.50000000 0.00000000 0.00000000 1.0
Mg Mg2 1 0.00000000 0.24491325 0.50000000 1.0
Mg Mg3 1 0.00000000 0.75508675 0.50000000 1.0
Mg Mg4 1 0.50000000 0.23732868 0.50000000 1.0
Mg Mg5 1 0.50000000 0.76267132 0.50000000 1.0
Mg Mg6 1 0.24491325 0.00000000 0.50000000 1.0
Mg Mg7 1 0.23732868 0.50000000 0.50000000 1.0
Mg Mg8 1 0.75508675 0.00000000 0.50000000 1.0
Mg Mg9 1 0.76267132 0.50000000 0.50000000 1.0
Mg Mg10 1 0.24090884 0.24090884 0.00000000 1.0
Mg Mg11 1 0.24090884 0.75909116 0.00000000 1.0
Mg Mg12 1 0.75909116 0.24090884 0.00000000 1.0
Mg Mg13 1 0.75909116 0.75909116 0.00000000 1.0
Co Co14 1 0.00000000 0.00000000 0.00000000 1.0
Sn Sn15 1 0.50000000 0.50000000 0.00000000 1.0
O O16 1 0.25897390 0.00000000 0.00000000 1.0
O O17 1 0.23743732 0.50000000 0.00000000 1.0
O O18 1 0.74102610 0.00000000 0.00000000 1.0
O O19 1 0.76256268 0.50000000 0.00000000 1.0
O O20 1 0.25083558 0.25083558 0.50000000 1.0
O O21 1 0.25083558 0.74916442 0.50000000 1.0
O O22 1 0.74916442 0.25083558 0.50000000 1.0
O O23 1 0.74916442 0.74916442 0.50000000 1.0
O O24 1 0.00000000 0.00000000 0.50000000 1.0
O O25 1 0.00000000 0.50000000 0.50000000 1.0
O O26 1 0.50000000 0.00000000 0.50000000 1.0
O O27 1 0.50000000 0.50000000 0.50000000 1.0
O O28 1 0.00000000 0.25897390 0.00000000 1.0
O O29 1 0.00000000 0.74102610 0.00000000 1.0
O O30 1 0.50000000 0.23743732 0.00000000 1.0
O O31 1 0.50000000 0.76256268 0.00000000 1.0
