EuGaSn

高熵材料 HEA 传统材料 TRA

MP-ID: mp-1102160 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

EuGaSn

MP-ID

mp-1102160

Elements

Sites

Density

7.0305

g/cm³

Volume

321.60

Å³

Cell a

4.5261

Cell b

4.5261

Cell c

18.1271

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
9.76	9.0636	1.6	(0,0,0,2)
22.69	3.9197	5.6	(1,0,-1,0)
27.12	3.2884	15.9	(1,0,-1,3)
30.14	2.9646	100.0	(1,0,-1,4)
39.78	2.2659	8.2	(0,0,0,8)
39.83	2.2631	17.6	(1,1,-2,0)
39.83	2.2631	35.1	(2,-1,-1,0)
41.81	2.1606	16.5	(1,0,-1,7)
46.28	1.9617	6.8	(1,0,-1,8)
48.85	1.8643	2.2	(2,0,-2,3)
48.85	1.8643	1.1	(2,-2,0,3)
50.75	1.7989	15.7	(2,0,-2,4)
50.75	1.7989	7.8	(2,-2,0,4)
57.56	1.6012	17.0	(2,-1,-1,8)
59.12	1.5628	6.0	(2,0,-2,7)
60.99	1.5191	4.6	(1,0,-1,11)
60.99	1.5191	2.3	(1,-1,0,11)
62.68	1.4823	2.7	(2,0,-2,8)
64.79	1.4389	2.0	(3,-1,-2,3)
66.31	1.4095	5.3	(1,0,-1,12)
66.39	1.4082	7.0	(2,1,-3,4)
66.39	1.4082	14.1	(3,-1,-2,4)
72.32	1.3066	6.1	(3,0,-3,0)
72.32	1.3066	3.1	(3,-3,0,0)

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Energy Properties

Formation Energy/atom

-0.67781

eV/atom

Energy/atom

-25.58109

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.5811

eV/atom

Volume/atom

26.80

Å³

c/a Ratio

4.0050

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

28.0586

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.087250

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

13.0637

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.279%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3287

smaller = more stable mixing

VEC

4.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.444

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (5)

aaadnflx aaadrbpp aaaeksdf aaaeuegu aaafjeye

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1102160

Reference Citation

The crystal structure and related material properties of EuGaSn were obtained from the Materials Project database (MP-ID: mp-1102160, 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_EuGaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52612070
_cell_length_b   4.52612070
_cell_length_c   18.12711021
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999188
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuGaSn
_chemical_formula_sum   'Eu4 Ga4 Sn4'
_cell_volume   321.59664236
_cell_formula_units_Z   4
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
  Eu  Eu0  1  -0.00000000  -0.00000000  0.50000000  1.0
  Eu  Eu1  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Eu  Eu2  1  -0.00000000  -0.00000000  0.25000000  1.0
  Eu  Eu3  1  -0.00000000  -0.00000000  0.75000000  1.0
  Ga  Ga4  1  0.66666700  0.33333300  0.33732334  1.0
  Ga  Ga5  1  0.33333300  0.66666700  0.66267666  1.0
  Ga  Ga6  1  0.33333300  0.66666700  0.83732334  1.0
  Ga  Ga7  1  0.66666700  0.33333300  0.16267666  1.0
  Sn  Sn8  1  0.33333300  0.66666700  0.38442874  1.0
  Sn  Sn9  1  0.66666700  0.33333300  0.61557126  1.0
  Sn  Sn10  1  0.66666700  0.33333300  0.88442874  1.0
  Sn  Sn11  1  0.33333300  0.66666700  0.11557126  1.0

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