Er5Al3Ni3Ge4
High-Entropy Materials HEAMP-ID: mp-638521 · Space group: Pmmn (#59)
Basic Information
Formula
Er5Al3Ni3Ge4
MP-ID
mp-638521
Elements
4
Sites
30
Density
8.4745
g/cm³
Volume
542.33
ų
Cell a
4.1584
Å
Cell b
6.8406
Å
Cell c
19.0654
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmmn
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 9.28 | 9.5327 | 22.8 | (0,0,2) |
| 13.75 | 6.4387 | 10.0 | (0,1,1) |
| 18.62 | 4.7663 | 1.9 | (0,0,4) |
| 21.88 | 4.0629 | 34.9 | (1,0,1) |
| 22.74 | 3.9107 | 12.8 | (0,1,4) |
| 25.60 | 3.4797 | 5.6 | (1,0,3) |
| 26.05 | 3.4203 | 8.1 | (0,2,0) |
| 26.48 | 3.3665 | 7.6 | (0,2,1) |
| 26.77 | 3.3306 | 2.7 | (0,1,5) |
| 27.71 | 3.2193 | 2.5 | (0,2,2) |
| 28.08 | 3.1776 | 11.4 | (0,0,6) |
| 29.66 | 3.0118 | 3.6 | (0,2,3) |
| 31.03 | 2.8818 | 11.6 | (0,1,6) |
| 31.40 | 2.8488 | 4.7 | (1,1,4) |
| 31.84 | 2.8104 | 5.6 | (1,0,5) |
| 32.21 | 2.7789 | 19.0 | (0,2,4) |
| 33.94 | 2.6416 | 3.7 | (1,2,0) |
| 34.27 | 2.6166 | 45.7 | (1,2,1) |
| 34.50 | 2.5996 | 98.4 | (1,1,5) |
| 35.25 | 2.5461 | 1.9 | (0,2,5) |
| 35.26 | 2.5456 | 5.8 | (1,2,2) |
| 35.48 | 2.5304 | 1.4 | (0,1,7) |
| 36.85 | 2.4392 | 100.0 | (1,2,3) |
| 37.75 | 2.3832 | 2.9 | (0,0,8) |
Energy Properties
Formation Energy/atom
-0.78389
eV/atom
Energy/atom
-5.44441
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-5.4444
eV/atom
Volume/atom
18.08
ų
c/a Ratio
4.5848
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0019
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 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
1.3624
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.3274
J/mol·K
Ω Parameter
3.6603
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
15.347%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3231
smaller = more stable mixing
VEC
7.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.506
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9828
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-638521
Reference Citation
The crystal structure and related material properties of Er5Al3Ni3Ge4 were obtained from the Materials Project database (MP-ID: mp-638521, 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_Er5Al3Ni3Ge4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15839600
_cell_length_b 6.84057500
_cell_length_c 19.06536000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er5Al3Ni3Ge4
_chemical_formula_sum 'Er10 Al6 Ni6 Ge8'
_cell_volume 542.32979341
_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
Er Er0 1 0.00000000 0.50359300 0.63046000 1.0
Er Er1 1 0.50000000 0.00024900 0.82139600 1.0
Er Er2 1 0.00000000 0.99975100 0.67860400 1.0
Er Er3 1 0.50000000 0.11506000 0.00000000 1.0
Er Er4 1 0.00000000 0.88494000 0.50000000 1.0
Er Er5 1 0.00000000 0.99975100 0.32139600 1.0
Er Er6 1 0.50000000 0.49640700 0.86954000 1.0
Er Er7 1 0.00000000 0.50359300 0.36954000 1.0
Er Er8 1 0.50000000 0.00024900 0.17860400 1.0
Er Er9 1 0.50000000 0.49640700 0.13046000 1.0
Al Al10 1 0.50000000 0.18412400 0.57155900 1.0
Al Al11 1 0.50000000 0.18412400 0.42844100 1.0
Al Al12 1 0.00000000 0.47187400 0.00000000 1.0
Al Al13 1 0.50000000 0.52812600 0.50000000 1.0
Al Al14 1 0.00000000 0.81587600 0.92844100 1.0
Al Al15 1 0.00000000 0.81587600 0.07155900 1.0
Ni Ni16 1 0.00000000 0.33405200 0.77582600 1.0
Ni Ni17 1 0.50000000 0.66594800 0.72417400 1.0
Ni Ni18 1 0.50000000 0.70615900 0.00000000 1.0
Ni Ni19 1 0.00000000 0.33405200 0.22417400 1.0
Ni Ni20 1 0.00000000 0.29384100 0.50000000 1.0
Ni Ni21 1 0.50000000 0.66594800 0.27582600 1.0
Ge Ge22 1 0.50000000 0.78963900 0.60386200 1.0
Ge Ge23 1 0.50000000 0.29663200 0.28878100 1.0
Ge Ge24 1 0.00000000 0.70336800 0.21121900 1.0
Ge Ge25 1 0.00000000 0.21036100 0.10386200 1.0
Ge Ge26 1 0.00000000 0.21036100 0.89613800 1.0
Ge Ge27 1 0.00000000 0.70336800 0.78878100 1.0
Ge Ge28 1 0.50000000 0.29663200 0.71121900 1.0
Ge Ge29 1 0.50000000 0.78963900 0.39613800 1.0
