Eu3S

Traditional Materials TRA

MP-ID: mp-1184541 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Eu3S

MP-ID

mp-1184541

Elements

Sites

Density

5.0508

g/cm³

Volume

320.85

Å³

Cell a

9.8418

Cell b

9.8418

Cell c

3.8250

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
10.38	8.5232	15.3	(1,0,-1,0)
18.03	4.9209	4.2	(2,-1,-1,0)
20.84	4.2616	53.0	(2,0,-2,0)
25.53	3.4897	42.7	(1,0,-1,1)
27.69	3.2215	63.3	(3,-1,-2,0)
31.43	2.8466	100.0	(2,0,-2,1)
31.49	2.8411	12.0	(3,0,-3,0)
36.52	2.4605	18.9	(4,-2,-2,0)
38.07	2.3639	7.1	(4,-1,-3,0)
39.51	2.2808	50.7	(3,0,-3,1)
46.44	1.9554	13.1	(5,-2,-3,0)
47.54	1.9125	10.5	(0,0,0,2)
48.93	1.8615	7.3	(4,0,-4,1)
48.93	1.8615	3.6	(4,-4,0,1)
52.44	1.7448	8.9	(2,0,-2,2)
52.56	1.7411	35.0	(5,-2,-3,1)
53.78	1.7047	17.8	(5,0,-5,0)
54.89	1.6727	12.9	(5,-1,-4,1)
55.91	1.6445	6.0	(2,1,-3,2)
55.91	1.6445	12.1	(3,-1,-2,2)
56.07	1.6403	7.5	(6,-3,-3,0)
57.19	1.6107	1.6	(6,-2,-4,0)
58.15	1.5865	4.3	(3,0,-3,2)
61.40	1.5100	8.1	(4,-2,-2,2)

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Energy Properties

Formation Energy/atom

-0.83633

eV/atom

Energy/atom

-31.73550

eV/atom

Energy above Hull

0.3950

eV/atom

Uncorrected Energy

-9.4099

eV/atom

Volume/atom

40.11

Å³

c/a Ratio

0.3886

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

46.3544

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.144470

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Binary Alloy

Matrix Element

Eu · 0.750

Related Tasks

Related computation task IDs (2)

aaadvbra aaadzfcg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184541

Reference Citation

The crystal structure and related material properties of Eu3S were obtained from the Materials Project database (MP-ID: mp-1184541, 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_Eu3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84178540
_cell_length_b   9.84178540
_cell_length_c   3.82495100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999596
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu3S
_chemical_formula_sum   'Eu6 S2'
_cell_volume   320.85167232
_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  0.20177500  0.40354900  0.25000000  1.0
  Eu  Eu1  1  0.59645100  0.79822500  0.25000000  1.0
  Eu  Eu2  1  0.20177500  0.79822500  0.25000000  1.0
  Eu  Eu3  1  0.79822500  0.59645100  0.75000000  1.0
  Eu  Eu4  1  0.40354900  0.20177500  0.75000000  1.0
  Eu  Eu5  1  0.79822500  0.20177500  0.75000000  1.0
  S  S6  1  0.33333300  0.66666700  0.75000000  1.0
  S  S7  1  0.66666700  0.33333300  0.25000000  1.0

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