Eu3(Cu2Sn)4

高熵材料 HEA 传统材料 TRA

MP-ID: mp-11638 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

Eu3(Cu2Sn)4

MP-ID

mp-11638

Elements

Sites

Density

8.2658

g/cm³

Volume

578.21

Å³

Cell a

9.2356

Cell b

9.2356

Cell c

7.8276

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

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
11.06	7.9982	4.6	(1,0,-1,0)
22.23	3.9991	2.5	(2,0,-2,0)
25.00	3.5613	15.1	(2,0,-2,1)
25.34	3.5155	5.7	(1,0,-1,2)
29.55	3.0231	6.7	(3,-1,-2,0)
29.93	2.9857	7.1	(2,-1,-1,2)
31.73	2.8201	28.2	(3,-1,-2,1)
32.00	2.7972	100.0	(2,0,-2,2)
33.62	2.6661	5.4	(3,0,-3,0)
35.57	2.5237	38.3	(3,0,-3,1)
36.21	2.4806	32.5	(1,0,-1,3)
37.60	2.3925	26.9	(3,-1,-2,2)
39.01	2.3089	99.4	(4,-2,-2,0)
40.96	2.2034	15.4	(3,0,-3,2)
41.32	2.1852	23.9	(2,0,-2,3)
42.35	2.1343	8.3	(4,-1,-3,1)
45.62	1.9886	10.8	(4,-2,-2,2)
45.95	1.9752	8.7	(3,-1,-2,3)
46.40	1.9569	8.9	(0,0,0,4)
46.90	1.9374	8.4	(4,0,-4,1)
47.09	1.9299	1.8	(3,1,-4,2)
47.09	1.9299	3.7	(4,-1,-3,2)
48.84	1.8648	16.0	(3,0,-3,3)
50.66	1.8018	2.7	(2,-1,-1,4)

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Energy Properties

Formation Energy/atom

-0.30221

eV/atom

Energy/atom

-5.61530

eV/atom

Energy above Hull

0.0022

eV/atom

Uncorrected Energy

-5.6153

eV/atom

Volume/atom

19.27

Å³

c/a Ratio

0.8476

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

42.0703

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.072760

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.533

Element Family

3d-TM

Solute Fraction

0.467

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0096

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.3939

J/mol·K

Ω Parameter

1.9896

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.108%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2891

smaller = more stable mixing

VEC

8.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.551

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9190

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (3)

aaacayim aaadvthe aaaedfpp

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-11638

Reference Citation

The crystal structure and related material properties of Eu3(Cu2Sn)4 were obtained from the Materials Project database (MP-ID: mp-11638, 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_Eu3(Cu2Sn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23556979
_cell_length_b   9.23556979
_cell_length_c   7.82759800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999852
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu3(Cu2Sn)4
_chemical_formula_sum   'Eu6 Cu16 Sn8'
_cell_volume   578.21125500
_cell_formula_units_Z   2
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  0.52533700  0.47466300  0.50141000  1.0
  Eu  Eu1  1  0.05067400  0.52533700  0.00141000  1.0
  Eu  Eu2  1  0.47466300  0.94932600  0.00141000  1.0
  Eu  Eu3  1  0.52533700  0.05067400  0.50141000  1.0
  Eu  Eu4  1  0.94932600  0.47466300  0.50141000  1.0
  Eu  Eu5  1  0.47466300  0.52533700  0.00141000  1.0
  Cu  Cu6  1  0.89992900  0.79985800  0.52182800  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.77427100  1.0
  Cu  Cu8  1  0.00000000  0.00000000  0.27427100  1.0
  Cu  Cu9  1  0.66666700  0.33333300  0.17183300  1.0
  Cu  Cu10  1  0.33333300  0.66666700  0.67183300  1.0
  Cu  Cu11  1  0.10007100  0.89992900  0.02182800  1.0
  Cu  Cu12  1  0.83744400  0.16255600  0.82766800  1.0
  Cu  Cu13  1  0.67488800  0.83744400  0.32766800  1.0
  Cu  Cu14  1  0.16255600  0.32511200  0.32766800  1.0
  Cu  Cu15  1  0.83744400  0.67488800  0.82766800  1.0
  Cu  Cu16  1  0.32511200  0.16255600  0.82766800  1.0
  Cu  Cu17  1  0.20014200  0.10007100  0.52182800  1.0
  Cu  Cu18  1  0.89992900  0.10007100  0.52182800  1.0
  Cu  Cu19  1  0.79985800  0.89992900  0.02182800  1.0
  Cu  Cu20  1  0.10007100  0.20014200  0.02182800  1.0
  Cu  Cu21  1  0.16255600  0.83744400  0.32766800  1.0
  Sn  Sn22  1  0.66453800  0.83226900  0.70590300  1.0
  Sn  Sn23  1  0.16773100  0.33546200  0.70590300  1.0
  Sn  Sn24  1  0.83226900  0.66453800  0.20590300  1.0
  Sn  Sn25  1  0.33546200  0.16773100  0.20590300  1.0
  Sn  Sn26  1  0.16773100  0.83226900  0.70590300  1.0
  Sn  Sn27  1  0.33333300  0.66666700  0.31617700  1.0
  Sn  Sn28  1  0.83226900  0.16773100  0.20590300  1.0
  Sn  Sn29  1  0.66666700  0.33333300  0.81617700  1.0

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