Er2Ga9NiRh2
High-Entropy Materials HEAMP-ID: mp-3293068 · Space group: Cmcm (#63)
Basic Information
Formula
Er2Ga9NiRh2
MP-ID
mp-3293068
Elements
4
Sites
28
Density
9.1195
g/cm³
Volume
446.67
ų
Cell a
7.4210
Å
Cell b
7.4210
Å
Cell c
9.3776
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.13
°
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 |
|---|---|---|---|
| 13.77 | 6.4309 | 10.1 | (1,-1,0,0) |
| 16.74 | 5.2966 | 6.2 | (1,0,-1,1) |
| 23.50 | 3.7862 | 5.1 | (1,0,-1,2) |
| 25.82 | 3.4502 | 12.3 | (1,-2,1,1) |
| 25.82 | 3.4502 | 12.3 | (2,-1,-1,1) |
| 25.87 | 3.4445 | 10.3 | (1,1,-2,1) |
| 27.74 | 3.2154 | 15.1 | (2,-2,0,0) |
| 27.80 | 3.2092 | 1.9 | (2,0,-2,0) |
| 29.42 | 3.0364 | 25.9 | (2,0,-2,1) |
| 30.73 | 2.9096 | 27.4 | (2,-1,-1,2) |
| 30.77 | 2.9062 | 16.6 | (1,1,-2,2) |
| 31.84 | 2.8103 | 2.0 | (1,0,-1,3) |
| 33.80 | 2.6518 | 10.4 | (2,-2,0,2) |
| 33.85 | 2.6483 | 21.1 | (2,0,-2,2) |
| 36.99 | 2.4300 | 8.5 | (3,-2,-1,0) |
| 37.08 | 2.4246 | 18.0 | (2,1,-3,0) |
| 37.63 | 2.3906 | 100.0 | (1,-2,1,3) |
| 37.63 | 2.3906 | 100.0 | (2,-1,-1,3) |
| 37.66 | 2.3887 | 97.7 | (1,1,-2,3) |
| 38.26 | 2.3523 | 5.3 | (2,-3,1,1) |
| 38.26 | 2.3523 | 5.3 | (3,-2,-1,1) |
| 38.29 | 2.3505 | 15.9 | (1,-3,2,1) |
| 38.29 | 2.3505 | 15.9 | (3,-1,-2,1) |
| 38.34 | 2.3474 | 15.0 | (2,1,-3,1) |
Energy Properties
Formation Energy/atom
-0.69440
eV/atom
Energy/atom
-17.20083
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.2008
eV/atom
Volume/atom
15.95
ų
c/a Ratio
1.2637
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0001
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 · 0.643
Element Family
PostTransition-Noble
Solute Fraction
0.357
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0285
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.5511
J/mol·K
Ω Parameter
1.1638
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.476%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2804
smaller = more stable mixing
VEC
5.643
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.577
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7419
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293068
Reference Citation
The crystal structure and related material properties of Er2Ga9NiRh2 were obtained from the Materials Project database (MP-ID: mp-3293068, 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_Er2Ga9NiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42097853
_cell_length_b 7.42097909
_cell_length_c 9.37761264
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.12767930
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Ga9NiRh2
_chemical_formula_sum 'Er4 Ga18 Ni2 Rh4'
_cell_volume 446.66827752
_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 0.99547512 0.66152407 0.25000000 1.0
Er Er1 1 0.00452488 0.33847593 0.75000000 1.0
Er Er2 1 0.66152407 0.99547512 0.25000000 1.0
Er Er3 1 0.33847593 0.00452488 0.75000000 1.0
Ga Ga4 1 0.11395390 0.11395390 0.25000000 1.0
Ga Ga5 1 0.88604610 0.88604610 0.75000000 1.0
Ga Ga6 1 0.00012711 0.32705997 0.07557265 1.0
Ga Ga7 1 0.99987289 0.67294003 0.92442735 1.0
Ga Ga8 1 0.99987289 0.67294003 0.57557265 1.0
Ga Ga9 1 0.32705997 0.00012711 0.42442735 1.0
Ga Ga10 1 0.00012711 0.32705997 0.42442735 1.0
Ga Ga11 1 0.67294003 0.99987289 0.57557265 1.0
Ga Ga12 1 0.67294003 0.99987289 0.92442735 1.0
Ga Ga13 1 0.32705997 0.00012711 0.07557265 1.0
Ga Ga14 1 0.32956641 0.32956641 0.56903670 1.0
Ga Ga15 1 0.67043359 0.67043359 0.43096330 1.0
Ga Ga16 1 0.67043359 0.67043359 0.06903670 1.0
Ga Ga17 1 0.32956641 0.32956641 0.93096330 1.0
Ga Ga18 1 0.33371615 0.53933895 0.25000000 1.0
Ga Ga19 1 0.66628385 0.46066105 0.75000000 1.0
Ga Ga20 1 0.53933895 0.33371615 0.25000000 1.0
Ga Ga21 1 0.46066105 0.66628385 0.75000000 1.0
Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0
Ni Ni23 1 0.00000000 0.00000000 0.50000000 1.0
Rh Rh24 1 0.67104392 0.32895608 0.00000000 1.0
Rh Rh25 1 0.32895608 0.67104392 0.00000000 1.0
Rh Rh26 1 0.32895608 0.67104392 0.50000000 1.0
Rh Rh27 1 0.67104392 0.32895608 0.50000000 1.0
