Eu2SnS4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-632490 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

Eu2SnS4

MP-ID

mp-632490

Elements

Sites

Density

4.8901

g/cm³

Volume

748.28

Å³

Cell a

7.5207

Cell b

8.8174

Cell c

11.2841

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
14.15	6.2581	1.5	(1,0,1)
15.49	5.7220	17.3	(1,1,0)
15.71	5.6420	18.3	(0,0,2)
18.67	4.7524	5.5	(0,1,2)
19.67	4.5132	14.3	(1,0,2)
20.14	4.4087	27.0	(0,2,0)
22.13	4.0175	18.2	(1,1,2)
24.70	3.6042	83.4	(1,2,1)
24.96	3.5675	53.8	(2,0,1)
25.64	3.4739	49.7	(0,2,2)
26.50	3.3641	44.4	(1,0,3)
26.96	3.3071	23.5	(2,1,1)
28.30	3.1537	13.6	(1,2,2)
28.40	3.1431	3.3	(1,1,3)
28.53	3.1291	2.1	(2,0,2)
31.26	2.8610	4.1	(2,2,0)
31.72	2.8210	3.4	(0,0,4)
32.28	2.7733	100.0	(2,2,1)
32.71	2.7375	3.1	(1,3,0)
33.35	2.6869	3.1	(0,1,4)
33.51	2.6744	25.7	(1,2,3)
33.69	2.6603	1.4	(1,3,1)
33.70	2.6593	1.2	(2,0,3)
33.94	2.6413	59.9	(1,0,4)

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Energy Properties

Formation Energy/atom

-1.67349

eV/atom

Energy/atom

-7.54998

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.2626

eV/atom

Volume/atom

26.72

Å³

c/a Ratio

1.5004

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

55.6924

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.074430

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

S · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.3217

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

27.393%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6049

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-15.018

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

S-rich Multi-Component

Matrix Element

S · 0.571

Related Tasks

Related computation task IDs (2)

aaadazwv aaadvfdd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-632490

Reference Citation

The crystal structure and related material properties of Eu2SnS4 were obtained from the Materials Project database (MP-ID: mp-632490, 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_Eu2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52073100
_cell_length_b   8.81738800
_cell_length_c   11.28408000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2SnS4
_chemical_formula_sum   'Eu8 Sn4 S16'
_cell_volume   748.28349076
_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  0.88044700  0.99486500  0.31037700  1.0
  Eu  Eu1  1  0.61955300  0.50513500  0.81037700  1.0
  Eu  Eu2  1  0.11955300  0.49486500  0.68962300  1.0
  Eu  Eu3  1  0.38044700  0.00513500  0.18962300  1.0
  Eu  Eu4  1  0.11955300  0.00513500  0.68962300  1.0
  Eu  Eu5  1  0.38044700  0.49486500  0.18962300  1.0
  Eu  Eu6  1  0.88044700  0.50513500  0.31037700  1.0
  Eu  Eu7  1  0.61955300  0.99486500  0.81037700  1.0
  Sn  Sn8  1  0.89032500  0.25000000  0.03013100  1.0
  Sn  Sn9  1  0.60967500  0.25000000  0.53013100  1.0
  Sn  Sn10  1  0.10967500  0.75000000  0.96986900  1.0
  Sn  Sn11  1  0.39032500  0.75000000  0.46986900  1.0
  S  S12  1  0.10339500  0.25000000  0.19835500  1.0
  S  S13  1  0.39660500  0.25000000  0.69835500  1.0
  S  S14  1  0.89660500  0.75000000  0.80164500  1.0
  S  S15  1  0.60339500  0.75000000  0.30164500  1.0
  S  S16  1  0.90135300  0.25000000  0.81112400  1.0
  S  S17  1  0.59864700  0.25000000  0.31112400  1.0
  S  S18  1  0.09864700  0.75000000  0.18887600  1.0
  S  S19  1  0.40135300  0.75000000  0.68887600  1.0
  S  S20  1  0.72597900  0.01446300  0.06357200  1.0
  S  S21  1  0.77402100  0.48553700  0.56357200  1.0
  S  S22  1  0.27402100  0.51446300  0.93642800  1.0
  S  S23  1  0.22597900  0.98553700  0.43642800  1.0
  S  S24  1  0.27402100  0.98553700  0.93642800  1.0
  S  S25  1  0.22597900  0.51446300  0.43642800  1.0
  S  S26  1  0.72597900  0.48553700  0.06357200  1.0
  S  S27  1  0.77402100  0.01446300  0.56357200  1.0

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