Mg14CoSn

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1099087 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg14CoSn

MP-ID

mp-1099087

Elements

Sites

Density

2.5171

g/cm³

Volume

341.67

Å³

Cell a

6.2058

Cell b

6.2058

Cell c

10.2442

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

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
8.63	10.2442	4.3	(0,0,0,1)
16.49	5.3744	21.6	(1,0,-1,0)
16.49	5.3744	10.8	(1,-1,0,0)
17.31	5.1221	9.1	(0,0,0,2)
18.64	4.7592	7.8	(1,0,-1,1)
24.00	3.7079	23.0	(1,0,-1,2)
26.10	3.4147	1.7	(0,0,0,3)
28.77	3.1029	8.1	(2,-1,-1,0)
30.09	2.9697	1.1	(1,1,-2,1)
30.09	2.9697	2.1	(2,-1,-1,1)
31.03	2.8822	3.4	(1,0,-1,3)
33.34	2.6872	27.5	(2,0,-2,0)
33.77	2.6539	10.4	(2,-1,-1,2)
34.51	2.5993	2.5	(2,0,-2,1)
35.04	2.5610	26.5	(0,0,0,4)
37.81	2.3796	100.0	(2,0,-2,2)
38.96	2.3120	7.7	(1,0,-1,4)
44.61	2.0313	4.2	(3,-1,-2,0)
45.52	1.9925	1.3	(3,-1,-2,1)
45.95	1.9752	4.7	(2,-1,-1,4)
48.19	1.8883	9.3	(3,-1,-2,2)
49.14	1.8539	17.9	(2,0,-2,4)
50.98	1.7915	1.1	(3,0,-3,0)
52.41	1.7458	1.0	(3,-1,-2,3)

Get direct link

Energy Properties

Formation Energy/atom

0.06685

eV/atom

Energy/atom

-2.05625

eV/atom

Energy above Hull

0.0988

eV/atom

Uncorrected Energy

-2.0563

eV/atom

Volume/atom

21.35

Å³

c/a Ratio

1.6507

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0260

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000080

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

0.3703

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.473%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2022

smaller = more stable mixing

VEC

2.563

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.881

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacxrzo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1099087

Reference Citation

The crystal structure and related material properties of Mg14CoSn were obtained from the Materials Project database (MP-ID: mp-1099087, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Mg14CoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20582156
_cell_length_b   6.20582156
_cell_length_c   10.24417600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CoSn
_chemical_formula_sum   'Mg14 Co1 Sn1'
_cell_volume   341.66953107
_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  0.99645600  0.49822800  0.00000000  1.0
  Mg  Mg1  1  0.00026000  0.50013000  0.50000000  1.0
  Mg  Mg2  1  0.50177200  0.00354400  0.00000000  1.0
  Mg  Mg3  1  0.49987000  0.99974000  0.50000000  1.0
  Mg  Mg4  1  0.50177200  0.49822800  0.00000000  1.0
  Mg  Mg5  1  0.49987000  0.50013000  0.50000000  1.0
  Mg  Mg6  1  0.16162600  0.83837400  0.23767000  1.0
  Mg  Mg7  1  0.16162600  0.83837400  0.76233000  1.0
  Mg  Mg8  1  0.16162600  0.32325200  0.23767000  1.0
  Mg  Mg9  1  0.16162600  0.32325200  0.76233000  1.0
  Mg  Mg10  1  0.67674800  0.83837400  0.23767000  1.0
  Mg  Mg11  1  0.67674800  0.83837400  0.76233000  1.0
  Mg  Mg12  1  0.66666700  0.33333300  0.24978700  1.0
  Mg  Mg13  1  0.66666700  0.33333300  0.75021300  1.0
  Co  Co14  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn15  1  0.00000000  0.00000000  0.50000000  1.0

Get direct link