Mg14CrSn

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1026410 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14CrSn

MP-ID

mp-1026410

Elements

Sites

Density

2.3718

g/cm³

Volume

357.74

Å³

Cell a

6.3191

Cell b

6.2814

Cell c

10.3865

α Angle

90.00

β Angle

90.00

γ Angle

119.80

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

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
8.51	10.3865	100.0	(0,0,1)
16.16	5.4833	25.5	(1,0,0)
16.26	5.4506	12.3	(1,-1,0)
17.07	5.1933	22.0	(0,0,2)
18.30	4.8491	38.1	(1,0,1)
18.38	4.8264	20.1	(1,-1,1)
23.60	3.7706	20.4	(1,0,2)
23.66	3.7599	12.4	(1,-1,2)
25.73	3.4622	7.7	(0,0,3)
28.25	3.1595	1.9	(2,-1,0)
28.25	3.1595	1.9	(1,1,0)
28.42	3.1407	6.6	(1,-2,0)
29.55	3.0227	7.1	(2,-1,1)
29.72	3.0063	11.6	(1,-2,1)
30.54	2.9275	10.7	(1,0,3)
30.59	2.9225	6.6	(1,-1,3)
32.66	2.7417	24.8	(2,0,0)
32.86	2.7253	25.0	(2,-2,0)
32.86	2.7253	25.0	(0,2,0)
33.19	2.6992	5.2	(2,-1,2)
33.34	2.6875	8.7	(1,-2,2)
33.81	2.6509	8.3	(2,0,1)
34.01	2.6361	16.4	(2,-2,1)
34.54	2.5966	74.5	(0,0,4)

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Energy Properties

Formation Energy/atom

0.06377

eV/atom

Energy/atom

-2.21681

eV/atom

Energy above Hull

0.0951

eV/atom

Uncorrected Energy

-2.2168

eV/atom

Volume/atom

22.36

Å³

c/a Ratio

1.6437

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.3367

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.012120

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

0.6884

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.021%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1737

smaller = more stable mixing

VEC

2.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.459

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaacgkji

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1026410

Reference Citation

The crystal structure and related material properties of Mg14CrSn were obtained from the Materials Project database (MP-ID: mp-1026410, 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_Mg14CrSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31909344
_cell_length_b   6.28139166
_cell_length_c   10.38651679
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.80283616
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14CrSn
_chemical_formula_sum   'Mg14 Cr1 Sn1'
_cell_volume   357.74256974
_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  0.16656248  0.33328074  0.62500000  1.0
  Mg  Mg1  1  0.16699020  0.83349460  0.62500000  1.0
  Mg  Mg2  1  0.66757825  0.33429297  0.12500000  1.0
  Mg  Mg3  1  0.66659825  0.33301730  0.62500000  1.0
  Mg  Mg4  1  0.66757825  0.83328427  0.12500000  1.0
  Mg  Mg5  1  0.66659825  0.83357994  0.62500000  1.0
  Mg  Mg6  1  0.33228644  0.16287889  0.37263495  1.0
  Mg  Mg7  1  0.33228644  0.16287889  0.87736505  1.0
  Mg  Mg8  1  0.33228644  0.66940854  0.37263495  1.0
  Mg  Mg9  1  0.33228644  0.66940854  0.87736505  1.0
  Mg  Mg10  1  0.83282560  0.16641330  0.37609232  1.0
  Mg  Mg11  1  0.83282560  0.16641330  0.87390768  1.0
  Mg  Mg12  1  0.83694178  0.66847139  0.37317843  1.0
  Mg  Mg13  1  0.83694178  0.66847139  0.87682157  1.0
  Cr  Cr14  1  0.16337701  0.83168800  0.12500000  1.0
  Sn  Sn15  1  0.16603681  0.33301791  0.12500000  1.0

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