Eu2Ge2Se5
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-628758 · Space group: P2_1/c (#14)
Basic Information
Formula
Eu2Ge2Se5
MP-ID
mp-628758
Elements
3
Sites
36
Density
5.8135
g/cm³
Volume
964.31
ų
Cell a
12.3354
Å
Cell b
8.5148
Å
Cell c
12.0484
Å
α Angle
49.64
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P2_1/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mP
Stability
No
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 |
|---|---|---|---|
| 12.66 | 6.9932 | 5.7 | (1,1,1) |
| 14.36 | 6.1677 | 1.1 | (2,0,0) |
| 14.75 | 6.0057 | 7.9 | (0,1,2) |
| 17.78 | 4.9898 | 2.8 | (2,1,1) |
| 19.34 | 4.5904 | 10.3 | (0,0,2) |
| 20.64 | 4.3028 | 13.8 | (2,1,2) |
| 20.93 | 4.2447 | 13.6 | (0,2,2) |
| 22.15 | 4.0137 | 9.3 | (1,2,2) |
| 23.53 | 3.7805 | 16.1 | (1,2,1) |
| 23.86 | 3.7300 | 15.7 | (1,1,3) |
| 24.05 | 3.7006 | 47.9 | (3,1,1) |
| 24.17 | 3.6825 | 19.1 | (2,0,2) |
| 24.85 | 3.5826 | 2.6 | (1,2,3) |
| 25.47 | 3.4966 | 2.5 | (2,2,2) |
| 25.77 | 3.4576 | 37.0 | (2,1,-1) |
| 26.70 | 3.3392 | 14.6 | (2,2,1) |
| 27.49 | 3.2442 | 51.1 | (0,2,0) |
| 27.88 | 3.2005 | 4.0 | (2,2,3) |
| 28.45 | 3.1375 | 35.2 | (1,2,0) |
| 28.95 | 3.0839 | 8.2 | (4,0,0) |
| 30.09 | 2.9703 | 4.8 | (1,0,3) |
| 30.26 | 2.9533 | 10.6 | (3,2,2) |
| 30.27 | 2.9528 | 6.6 | (0,1,-2) |
| 30.51 | 2.9297 | 68.5 | (3,1,-1) |
Energy Properties
Formation Energy/atom
-1.29235
eV/atom
Energy/atom
-6.54811
eV/atom
Energy above Hull
0.0070
eV/atom
Uncorrected Energy
-6.2859
eV/atom
Volume/atom
26.79
ų
c/a Ratio
0.9767
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
55.9988
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.058070
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Se · 0.556
Element Family
Metalloid-Nonmetal
Solute Fraction
0.444
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9950
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.2727
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
21.236%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5417
smaller = more stable mixing
VEC
4.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9057
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.499
Family
Se-rich Multi-Component
Matrix Element
Se · 0.556
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-628758
Reference Citation
The crystal structure and related material properties of Eu2Ge2Se5 were obtained from the Materials Project database (MP-ID: mp-628758, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Eu2Ge2Se5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.33542800
_cell_length_b 8.51483900
_cell_length_c 12.04841292
_cell_angle_alpha 49.64079069
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu2Ge2Se5
_chemical_formula_sum 'Eu8 Ge8 Se20'
_cell_volume 964.30675901
_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 0.33765300 0.01422100 0.52914500 1.0
Eu Eu1 1 0.83765300 0.98577900 0.97085500 1.0
Eu Eu2 1 0.19600900 0.53584400 0.52096200 1.0
Eu Eu3 1 0.66234700 0.98577900 0.47085500 1.0
Eu Eu4 1 0.69600900 0.46415600 0.97903800 1.0
Eu Eu5 1 0.16234700 0.01422100 0.02914500 1.0
Eu Eu6 1 0.80399100 0.46415600 0.47903800 1.0
Eu Eu7 1 0.30399100 0.53584400 0.02096200 1.0
Ge Ge8 1 0.48043900 0.48556000 0.31387300 1.0
Ge Ge9 1 0.55016400 0.84438100 0.16540300 1.0
Ge Ge10 1 0.51956100 0.51444000 0.68612700 1.0
Ge Ge11 1 0.98043800 0.51444000 0.18612700 1.0
Ge Ge12 1 0.94983600 0.84438100 0.66540300 1.0
Ge Ge13 1 0.44983600 0.15561900 0.83459700 1.0
Ge Ge14 1 0.05016400 0.15561900 0.33459700 1.0
Ge Ge15 1 0.01956100 0.48556000 0.81387300 1.0
Se Se16 1 0.49304500 0.68391700 0.78514000 1.0
Se Se17 1 0.09447700 0.10163200 0.55919900 1.0
Se Se18 1 0.00695500 0.68391700 0.28514000 1.0
Se Se19 1 0.20989600 0.06034800 0.27719600 1.0
Se Se20 1 0.56056900 0.24522800 0.54734900 1.0
Se Se21 1 0.28352800 0.51717900 0.29330000 1.0
Se Se22 1 0.70989600 0.93965200 0.22280400 1.0
Se Se23 1 0.93943100 0.24522800 0.04734900 1.0
Se Se24 1 0.06056900 0.75477200 0.95265100 1.0
Se Se25 1 0.40552300 0.10163200 0.05919900 1.0
Se Se26 1 0.79010400 0.93965200 0.72280400 1.0
Se Se27 1 0.71647200 0.48282100 0.70670000 1.0
Se Se28 1 0.21647200 0.51717900 0.79330000 1.0
Se Se29 1 0.29010400 0.06034800 0.77719600 1.0
Se Se30 1 0.90552300 0.89836800 0.44080100 1.0
Se Se31 1 0.78352800 0.48282100 0.20670000 1.0
Se Se32 1 0.99304500 0.31608300 0.71486000 1.0
Se Se33 1 0.43943100 0.75477200 0.45265100 1.0
Se Se34 1 0.50695500 0.31608300 0.21486000 1.0
Se Se35 1 0.59447700 0.89836800 0.94080100 1.0
