Er2Ga4CuRh
High-Entropy Materials HEAMP-ID: mp-3252864 · Space group: Amm2 (#38)
Basic Information
Formula
Er2Ga4CuRh
MP-ID
mp-3252864
Elements
4
Sites
8
Density
9.3031
g/cm³
Volume
139.20
ų
Cell a
5.4067
Å
Cell b
5.4067
Å
Cell c
6.6306
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
134.10
°
Space Group
Amm2
Point Group
mm2
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 |
|---|---|---|---|
| 13.35 | 6.6306 | 1.2 | (0,0,1) |
| 22.33 | 3.9813 | 6.1 | (1,-1,1) |
| 22.90 | 3.8829 | 13.2 | (1,0,0) |
| 26.60 | 3.3507 | 3.9 | (1,0,1) |
| 26.89 | 3.3153 | 16.7 | (0,0,2) |
| 34.39 | 2.6081 | 3.6 | (2,-1,0) |
| 35.61 | 2.5213 | 100.0 | (1,0,2) |
| 36.08 | 2.4894 | 12.9 | (2,-2,0) |
| 37.04 | 2.4271 | 96.2 | (2,-1,1) |
| 38.63 | 2.3305 | 37.2 | (2,-2,1) |
| 42.90 | 2.1084 | 39.5 | (1,1,0) |
| 44.18 | 2.0498 | 10.2 | (2,-1,2) |
| 44.18 | 2.0498 | 10.2 | (1,-2,2) |
| 44.87 | 2.0201 | 21.1 | (1,-1,3) |
| 45.57 | 1.9907 | 2.5 | (2,-2,2) |
| 47.33 | 1.9208 | 6.8 | (1,0,3) |
| 48.88 | 1.8632 | 1.7 | (2,0,1) |
| 51.36 | 1.7791 | 5.7 | (1,1,2) |
| 54.41 | 1.6862 | 11.4 | (2,-1,3) |
| 55.36 | 1.6596 | 1.5 | (3,-3,0) |
| 55.43 | 1.6577 | 9.2 | (0,0,4) |
| 55.61 | 1.6528 | 9.1 | (2,-2,3) |
| 57.26 | 1.6089 | 3.4 | (3,-1,0) |
| 57.26 | 1.6089 | 3.4 | (1,-3,0) |
Energy Properties
Formation Energy/atom
-0.73131
eV/atom
Energy/atom
-19.30694
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.3069
eV/atom
Volume/atom
17.40
ų
c/a Ratio
1.2264
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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
Ga · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2130
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.0849
J/mol·K
Ω Parameter
2.6555
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.524%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3234
smaller = more stable mixing
VEC
7.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.993
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8750
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3252864
Reference Citation
The crystal structure and related material properties of Er2Ga4CuRh were obtained from the Materials Project database (MP-ID: mp-3252864, 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_Er2Ga4CuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40671802
_cell_length_b 5.40671790
_cell_length_c 6.63059093
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 134.09717244
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Ga4CuRh
_chemical_formula_sum 'Er2 Ga4 Cu1 Rh1'
_cell_volume 139.20065064
_cell_formula_units_Z 1
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 0.58132378 0.41867622 0.25000000 1.0
Er Er1 1 0.41913524 0.58086476 0.75000000 1.0
Ga Ga2 1 0.86649564 0.13350436 0.44264888 1.0
Ga Ga3 1 0.13364488 0.86635512 0.55149725 1.0
Ga Ga4 1 0.86649564 0.13350436 0.05735112 1.0
Ga Ga5 1 0.13364488 0.86635512 0.94850275 1.0
Cu Cu6 1 0.29343606 0.70656394 0.25000000 1.0
Rh Rh7 1 0.70582388 0.29417612 0.75000000 1.0
