CsEuS2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1080683 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

CsEuS2

MP-ID

mp-1080683

Elements

Sites

Density

4.5877

g/cm³

Volume

252.64

Å³

Cell a

4.2665

Cell b

4.2665

Cell c

16.0265

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

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
11.04	8.0133	7.6	(0,0,0,2)
22.19	4.0066	34.3	(0,0,0,4)
24.09	3.6949	4.1	(1,0,-1,0)
24.73	3.6004	18.4	(1,0,-1,1)
26.57	3.3554	100.0	(1,0,-1,2)
29.39	3.0388	54.6	(1,0,-1,3)
32.98	2.7162	5.6	(1,-1,0,4)
32.98	2.7162	11.3	(1,0,-1,4)
37.13	2.4212	9.6	(1,0,-1,5)
41.73	2.1647	44.2	(1,0,-1,6)
42.37	2.1332	41.2	(2,-1,-1,0)
43.92	2.0614	1.0	(2,-1,-1,2)
45.27	2.0033	7.2	(0,0,0,8)
46.67	1.9462	2.5	(1,0,-1,7)
48.34	1.8830	27.0	(2,-1,-1,4)
49.68	1.8353	2.9	(2,0,-2,1)
50.71	1.8002	17.1	(2,0,-2,2)
51.92	1.7611	3.2	(1,0,-1,8)
52.40	1.7460	10.0	(2,0,-2,3)
54.71	1.6777	3.9	(2,0,-2,4)
57.45	1.6042	2.3	(1,-1,0,9)
57.45	1.6042	4.7	(1,0,-1,9)
57.59	1.6006	2.7	(2,0,-2,5)
60.98	1.5194	14.2	(2,0,-2,6)

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Energy Properties

Formation Energy/atom

-1.74153

eV/atom

Energy/atom

-21.66589

eV/atom

Energy above Hull

0.0437

eV/atom

Uncorrected Energy

-6.3572

eV/atom

Volume/atom

31.58

Å³

c/a Ratio

3.7564

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

12.0011

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.047500

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

S · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

40.166%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.8056

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.400

Family

S-rich Multi-Component

Matrix Element

S · 0.500

Related Tasks

Related computation task IDs (5)

aaadnchq aaadsqsw aaaetvtd aaaezykg aaafwzlk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1080683

Reference Citation

The crystal structure and related material properties of CsEuS2 were obtained from the Materials Project database (MP-ID: mp-1080683, 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_CsEuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26647411
_cell_length_b   4.26647411
_cell_length_c   16.02653000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000176
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsEuS2
_chemical_formula_sum   'Cs2 Eu2 S4'
_cell_volume   252.64363119
_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
  Cs  Cs0  1  0.33333300  0.66666700  0.75000000  1.0
  Cs  Cs1  1  0.66666700  0.33333300  0.25000000  1.0
  Eu  Eu2  1  0.00000000  0.00000000  0.50000000  1.0
  Eu  Eu3  1  0.00000000  0.00000000  0.00000000  1.0
  S  S4  1  0.33333300  0.66666700  0.09198600  1.0
  S  S5  1  0.66666700  0.33333300  0.90801400  1.0
  S  S6  1  0.66666700  0.33333300  0.59198600  1.0
  S  S7  1  0.33333300  0.66666700  0.40801400  1.0

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