Mg14CoSnO16
High-Entropy Materials HEAMP-ID: mp-1035116 · Space group: Pmmm (#47)
Basic Information
Formula
Mg14CoSnO16
MP-ID
mp-1035116
Elements
4
Sites
32
Density
3.9572
g/cm³
Volume
324.75
ų
Cell a
8.6691
Å
Cell b
8.6876
Å
Cell c
4.3120
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmmm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 10.18 | 8.6876 | 8.3 | (0,1,0) |
| 10.20 | 8.6691 | 64.3 | (1,0,0) |
| 14.43 | 6.1365 | 9.5 | (1,1,0) |
| 20.45 | 4.3438 | 17.7 | (0,2,0) |
| 20.49 | 4.3346 | 17.6 | (2,0,0) |
| 20.60 | 4.3120 | 16.9 | (0,0,1) |
| 22.90 | 3.8835 | 23.7 | (1,2,0) |
| 22.93 | 3.8786 | 4.8 | (2,1,0) |
| 23.03 | 3.8624 | 4.7 | (0,1,1) |
| 23.04 | 3.8608 | 23.7 | (1,0,1) |
| 25.24 | 3.5281 | 9.9 | (1,1,1) |
| 29.10 | 3.0683 | 15.2 | (2,2,0) |
| 29.18 | 3.0602 | 14.6 | (0,2,1) |
| 29.21 | 3.0570 | 14.7 | (2,0,1) |
| 30.88 | 2.8959 | 3.4 | (0,3,0) |
| 30.95 | 2.8897 | 9.8 | (3,0,0) |
| 30.99 | 2.8857 | 24.7 | (1,2,1) |
| 31.01 | 2.8837 | 6.9 | (2,1,1) |
| 32.60 | 2.7467 | 3.1 | (1,3,0) |
| 32.66 | 2.7420 | 2.7 | (3,1,0) |
| 35.92 | 2.5000 | 75.1 | (2,2,1) |
| 37.35 | 2.4079 | 1.9 | (2,3,0) |
| 37.38 | 2.4060 | 10.4 | (3,2,0) |
| 37.41 | 2.4040 | 1.8 | (0,3,1) |
Energy Properties
Formation Energy/atom
-2.73496
eV/atom
Energy/atom
-6.27049
eV/atom
Energy above Hull
0.1263
eV/atom
Uncorrected Energy
-5.8758
eV/atom
Volume/atom
10.15
ų
c/a Ratio
0.4974
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
0.007180
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-1035116
Reference Citation
The crystal structure and related material properties of Mg14CoSnO16 were obtained from the Materials Project database (MP-ID: mp-1035116, 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 8.66909027
_cell_length_b 8.68757194
_cell_length_c 4.31202791
_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 324.75324725
_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 0.50000000 -0.00000000 0.00000000 1.0
Mg Mg1 1 0.50000000 0.50000000 0.00000000 1.0
Mg Mg2 1 -0.00000000 0.23440732 0.50000000 1.0
Mg Mg3 1 -0.00000000 0.76559268 0.50000000 1.0
Mg Mg4 1 0.50000000 0.24685287 0.50000000 1.0
Mg Mg5 1 0.50000000 0.75314713 0.50000000 1.0
Mg Mg6 1 0.24892036 -0.00000000 0.50000000 1.0
Mg Mg7 1 0.26081482 0.50000000 0.50000000 1.0
Mg Mg8 1 0.75107964 -0.00000000 0.50000000 1.0
Mg Mg9 1 0.73918518 0.50000000 0.50000000 1.0
Mg Mg10 1 0.25342241 0.24107124 -0.00000000 1.0
Mg Mg11 1 0.25342241 0.75892876 0.00000000 1.0
Mg Mg12 1 0.74657759 0.24107124 0.00000000 1.0
Mg Mg13 1 0.74657759 0.75892876 0.00000000 1.0
Co Co14 1 -0.00000000 -0.00000000 0.00000000 1.0
Sn Sn15 1 -0.00000000 0.50000000 0.00000000 1.0
O O16 1 0.26293802 -0.00000000 0.00000000 1.0
O O17 1 0.26488889 0.50000000 0.00000000 1.0
O O18 1 0.73706198 -0.00000000 0.00000000 1.0
O O19 1 0.73511111 0.50000000 -0.00000000 1.0
O O20 1 0.24874180 0.25076894 0.50000000 1.0
O O21 1 0.24874180 0.74923106 0.50000000 1.0
O O22 1 0.75125820 0.25076894 0.50000000 1.0
O O23 1 0.75125820 0.74923106 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 0.24405195 0.00000000 1.0
O O29 1 -0.00000000 0.75594805 0.00000000 1.0
O O30 1 0.50000000 0.24984433 -0.00000000 1.0
O O31 1 0.50000000 0.75015567 0.00000000 1.0
