EuSnHg

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1018701 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

EuSnHg

MP-ID

mp-1018701

Elements

Sites

Density

9.3851

g/cm³

Volume

166.77

Å³

Cell a

4.9283

Cell b

4.9271

Cell c

7.9310

α Angle

90.00

β Angle

90.00

γ Angle

120.01

Space Group

P6_3mc

Point Group

6mm

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
22.42	3.9655	13.5	(0,0,0,2)
23.67	3.7581	13.7	(1,0,-1,-1)
23.67	3.7581	13.7	(1,0,-1,1)
23.68	3.7574	6.9	(0,1,-1,-1)
23.68	3.7574	6.9	(0,1,-1,1)
30.78	2.9050	57.1	(1,0,-1,-2)
30.78	2.9050	57.1	(1,0,-1,2)
30.78	2.9047	28.5	(0,1,-1,-2)
30.78	2.9047	28.5	(0,1,-1,2)
36.46	2.4641	50.0	(2,-1,-1,0)
36.47	2.4635	100.0	(1,1,-2,0)
40.12	2.2474	15.9	(1,0,-1,-3)
40.12	2.2474	15.9	(1,0,-1,3)
40.13	2.2473	7.9	(0,1,-1,-3)
40.13	2.2472	7.9	(0,1,-1,3)
43.23	2.0930	5.1	(2,-1,-1,2)
43.23	2.0926	5.1	(1,1,-2,-2)
43.23	2.0926	5.1	(1,1,-2,2)
43.94	2.0606	2.8	(2,0,-2,-1)
43.94	2.0606	2.8	(2,0,-2,1)
43.95	2.0601	1.4	(0,2,-2,-1)
43.95	2.0601	1.4	(0,2,-2,1)
45.76	1.9827	9.5	(0,0,0,4)
48.44	1.8791	16.4	(2,0,-2,-2)

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Energy Properties

Formation Energy/atom

-0.65518

eV/atom

Energy/atom

-38.20013

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.2001

eV/atom

Volume/atom

27.79

Å³

c/a Ratio

1.6093

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.0069

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.083990

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Eu · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

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

1.0783

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.873%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3681

smaller = more stable mixing

VEC

7.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.191

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.390

Family

Eu-rich Multi-Component

Matrix Element

Eu · 0.333

Related Tasks

Related computation task IDs (5)

aaadmjrt aaadssez aaaemhsa aaaeurep aaafssnt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018701

Reference Citation

The crystal structure and related material properties of EuSnHg were obtained from the Materials Project database (MP-ID: mp-1018701, 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_EuSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92824982
_cell_length_b   4.92708416
_cell_length_c   7.93096789
_cell_angle_alpha   90.00042269
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00782638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuSnHg
_chemical_formula_sum   'Eu2 Sn2 Hg2'
_cell_volume   166.76513644
_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  0.00002238  0.00004576  0.74985682  1.0
  Eu  Eu1  1  -0.00002036  -0.00003972  0.24985161  1.0
  Sn  Sn2  1  0.66672814  0.33345729  0.96469022  1.0
  Sn  Sn3  1  0.33326665  0.66653230  0.46470717  1.0
  Hg  Hg4  1  0.66662535  0.33324970  0.55545941  1.0
  Hg  Hg5  1  0.33337784  0.66675568  0.05543577  1.0

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