Eu2Si3Ni8

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-684000 · Space group: P4_2/nmc (#137)

Materials Project API

Basic Information

Formula

Eu2Si3Ni8

MP-ID

mp-684000

Elements

Sites

Density

7.3987

g/cm³

Volume

770.02

Å³

Cell a

10.3187

Cell b

10.3187

Cell c

7.2319

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4_2/nmc

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Tetragonal P

Stability

Packing Fraction

0.6800

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
12.13	7.2964	8.2	(1,1,0)
14.96	5.9222	3.7	(1,0,1)
17.19	5.1594	1.7	(2,0,0)
21.15	4.2001	14.9	(2,0,1)
22.86	3.8902	23.6	(2,1,1)
24.40	3.6482	63.1	(2,2,0)
26.11	3.4125	22.3	(1,0,2)
27.33	3.2631	4.8	(3,1,0)
28.74	3.1062	1.8	(3,0,1)
30.18	2.9611	18.0	(2,0,2)
31.43	2.8462	37.4	(2,1,2)
33.68	2.6611	5.2	(3,2,1)
34.78	2.5797	44.3	(4,0,0)
34.94	2.5682	1.0	(2,2,2)
36.04	2.4922	34.2	(3,0,2)
37.00	2.4297	23.9	(4,0,1)
37.11	2.4225	21.5	(3,1,2)
38.05	2.3651	49.8	(4,1,1)
38.34	2.3474	32.7	(1,0,3)
40.18	2.2441	29.4	(3,2,2)
41.06	2.1982	100.0	(4,2,1)
41.34	2.1840	21.5	(2,0,3)
42.30	2.1367	41.6	(2,1,3)
44.00	2.0579	8.2	(4,1,2)

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Energy Properties

Formation Energy/atom

-0.21013

eV/atom

Energy/atom

-6.60192

eV/atom

Energy above Hull

0.3235

eV/atom

Uncorrected Energy

-6.6019

eV/atom

Volume/atom

14.81

Å³

c/a Ratio

0.7009

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

52.5883

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.068290

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ni · 0.615

Element Family

3d-TM

Solute Fraction

0.385

Interstitial Fraction

0.231

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9251

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.6915

J/mol·K

Ω Parameter

0.5490

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.362%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2552

smaller = more stable mixing

VEC

8.154

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-22.722

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8421

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.521

Family

Ni-based Alloy

Matrix Element

Ni · 0.615

Related Tasks

Related computation task IDs (2)

aaacbieu aaacfdab

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-684000

Reference Citation

The crystal structure and related material properties of Eu2Si3Ni8 were obtained from the Materials Project database (MP-ID: mp-684000, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Eu2Si3Ni8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.31871600
_cell_length_b   10.31871600
_cell_length_c   7.23190100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2Si3Ni8
_chemical_formula_sum   'Eu8 Si12 Ni32'
_cell_volume   770.02316688
_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  0.00780100  0.25000000  0.88562500  1.0
  Eu  Eu1  1  0.75000000  0.50780100  0.61437500  1.0
  Eu  Eu2  1  0.99219900  0.75000000  0.11437500  1.0
  Eu  Eu3  1  0.25000000  0.49219900  0.38562500  1.0
  Eu  Eu4  1  0.75000000  0.99219900  0.61437500  1.0
  Eu  Eu5  1  0.49219900  0.25000000  0.88562500  1.0
  Eu  Eu6  1  0.25000000  0.00780100  0.38562500  1.0
  Eu  Eu7  1  0.50780100  0.75000000  0.11437500  1.0
  Si  Si8  1  0.46722400  0.53277600  0.75000000  1.0
  Si  Si9  1  0.46722400  0.96722400  0.75000000  1.0
  Si  Si10  1  0.03277600  0.96722400  0.75000000  1.0
  Si  Si11  1  0.75000000  0.25000000  0.48253000  1.0
  Si  Si12  1  0.53277600  0.46722400  0.25000000  1.0
  Si  Si13  1  0.25000000  0.75000000  0.98253000  1.0
  Si  Si14  1  0.03277600  0.53277600  0.75000000  1.0
  Si  Si15  1  0.96722400  0.03277600  0.25000000  1.0
  Si  Si16  1  0.53277600  0.03277600  0.25000000  1.0
  Si  Si17  1  0.75000000  0.25000000  0.01747000  1.0
  Si  Si18  1  0.96722400  0.46722400  0.25000000  1.0
  Si  Si19  1  0.25000000  0.75000000  0.51747000  1.0
  Ni  Ni20  1  0.97036400  0.62904700  0.47314400  1.0
  Ni  Ni21  1  0.86485700  0.75000000  0.75455500  1.0
  Ni  Ni22  1  0.47036400  0.12904700  0.52685600  1.0
  Ni  Ni23  1  0.36485700  0.25000000  0.24544500  1.0
  Ni  Ni24  1  0.09006200  0.75000000  0.71375600  1.0
  Ni  Ni25  1  0.25000000  0.13514300  0.74544500  1.0
  Ni  Ni26  1  0.62904700  0.52963600  0.97314400  1.0
  Ni  Ni27  1  0.75000000  0.86485700  0.25455500  1.0
  Ni  Ni28  1  0.25000000  0.90993800  0.78624400  1.0
  Ni  Ni29  1  0.87095300  0.97036400  0.97314400  1.0
  Ni  Ni30  1  0.02963600  0.37095300  0.52685600  1.0
  Ni  Ni31  1  0.37095300  0.47036400  0.02685600  1.0
  Ni  Ni32  1  0.87095300  0.52963600  0.97314400  1.0
  Ni  Ni33  1  0.63514300  0.75000000  0.75455500  1.0
  Ni  Ni34  1  0.02963600  0.12904700  0.52685600  1.0
  Ni  Ni35  1  0.37095300  0.02963600  0.02685600  1.0
  Ni  Ni36  1  0.59006200  0.25000000  0.28624400  1.0
  Ni  Ni37  1  0.75000000  0.09006200  0.21375600  1.0
  Ni  Ni38  1  0.25000000  0.59006200  0.78624400  1.0
  Ni  Ni39  1  0.75000000  0.63514300  0.25455500  1.0
  Ni  Ni40  1  0.62904700  0.97036400  0.97314400  1.0
  Ni  Ni41  1  0.12904700  0.02963600  0.02685600  1.0
  Ni  Ni42  1  0.52963600  0.62904700  0.47314400  1.0
  Ni  Ni43  1  0.47036400  0.37095300  0.52685600  1.0
  Ni  Ni44  1  0.40993800  0.75000000  0.71375600  1.0
  Ni  Ni45  1  0.12904700  0.47036400  0.02685600  1.0
  Ni  Ni46  1  0.52963600  0.87095300  0.47314400  1.0
  Ni  Ni47  1  0.75000000  0.40993800  0.21375600  1.0
  Ni  Ni48  1  0.25000000  0.36485700  0.74544500  1.0
  Ni  Ni49  1  0.97036400  0.87095300  0.47314400  1.0
  Ni  Ni50  1  0.90993800  0.25000000  0.28624400  1.0
  Ni  Ni51  1  0.13514300  0.25000000  0.24544500  1.0

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