Basic Information
Formula
EuSi2Ni
MP-ID
mp-1025553
Elements
3
Sites
8
Density
6.4145
g/cm³
Volume
138.15
ų
Cell a
4.0143
Å
Cell b
4.1683
Å
Cell c
8.5151
Å
α Angle
104.17
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oC
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 10.72 | 8.2561 | 6.0 | (0,0,1) |
| 21.53 | 4.1281 | 62.7 | (0,0,2) |
| 21.99 | 4.0415 | 42.7 | (0,1,0) |
| 24.66 | 3.6102 | 59.4 | (1,0,1) |
| 26.83 | 3.3230 | 4.1 | (0,1,1) |
| 31.08 | 2.8779 | 53.5 | (1,0,2) |
| 31.41 | 2.8481 | 83.6 | (1,1,0) |
| 31.41 | 2.8481 | 83.6 | (1,1,-1) |
| 32.54 | 2.7520 | 9.4 | (0,0,3) |
| 34.65 | 2.5885 | 79.9 | (0,1,2) |
| 34.65 | 2.5885 | 79.9 | (0,1,-3) |
| 35.06 | 2.5598 | 100.0 | (1,1,1) |
| 35.06 | 2.5598 | 100.0 | (1,1,-2) |
| 39.71 | 2.2699 | 82.1 | (1,0,3) |
| 41.51 | 2.1755 | 23.2 | (1,1,2) |
| 43.42 | 2.0842 | 72.1 | (0,2,-1) |
| 43.86 | 2.0640 | 2.3 | (0,0,4) |
| 45.17 | 2.0072 | 64.1 | (2,0,0) |
| 48.96 | 1.8605 | 7.7 | (0,2,1) |
| 48.96 | 1.8605 | 7.7 | (0,2,-3) |
| 49.67 | 1.8356 | 34.7 | (1,0,4) |
| 49.89 | 1.8278 | 1.5 | (1,1,3) |
| 49.89 | 1.8278 | 1.5 | (1,1,-4) |
| 50.56 | 1.8051 | 14.0 | (2,0,2) |
Energy Properties
Formation Energy/atom
-0.65506
eV/atom
Energy/atom
-7.38478
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.6885
eV/atom
Volume/atom
17.27
ų
c/a Ratio
2.1212
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
13.6839
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.099050
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Si · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.500
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
0.6700
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
21.052%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3046
smaller = more stable mixing
VEC
6.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-20.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1025553
Reference Citation
The crystal structure and related material properties of EuSi2Ni were obtained from the Materials Project database (MP-ID: mp-1025553, 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_EuSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01432630
_cell_length_b 4.16832266
_cell_length_c 8.51510916
_cell_angle_alpha 104.16766592
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuSi2Ni
_chemical_formula_sum 'Eu2 Si4 Ni2'
_cell_volume 138.14955652
_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 0.25000000 0.39263664 0.78527228 1.0
Eu Eu1 1 0.75000000 0.60736336 0.21472772 1.0
Si Si2 1 0.25000000 0.04147522 0.08295044 1.0
Si Si3 1 0.75000000 0.95852478 0.91704956 1.0
Si Si4 1 0.25000000 0.74991411 0.49982722 1.0
Si Si5 1 0.75000000 0.25008589 0.50017278 1.0
Ni Ni6 1 0.25000000 0.18084322 0.36168744 1.0
Ni Ni7 1 0.75000000 0.81915678 0.63831256 1.0
