Er2Ga9IrRh2
High-Entropy Materials HEAMP-ID: mp-3295019 · Space group: C2/m (#12)
Basic Information
Formula
Er2Ga9IrRh2
MP-ID
mp-3295019
Elements
4
Sites
28
Density
9.9088
g/cm³
Volume
455.84
ų
Cell a
7.4614
Å
Cell b
7.4614
Å
Cell c
9.4344
Å
α Angle
90.01
°
β Angle
90.01
°
γ Angle
119.79
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 9.37 | 9.4344 | 13.2 | (0,0,0,1) |
| 13.72 | 6.4548 | 9.5 | (1,-1,0,0) |
| 16.60 | 5.3398 | 7.2 | (1,0,-1,-1) |
| 16.64 | 5.3273 | 2.4 | (1,-1,0,1) |
| 18.81 | 4.7172 | 5.3 | (0,0,0,2) |
| 23.33 | 3.8134 | 2.7 | (1,0,-1,-2) |
| 23.33 | 3.8122 | 2.4 | (1,0,-1,2) |
| 23.77 | 3.7427 | 4.0 | (1,1,-2,0) |
| 23.85 | 3.7307 | 3.7 | (1,-2,1,0) |
| 23.85 | 3.7307 | 3.7 | (2,-1,-1,0) |
| 25.61 | 3.4785 | 10.3 | (1,1,-2,1) |
| 25.68 | 3.4695 | 10.5 | (1,-2,1,1) |
| 25.68 | 3.4695 | 10.5 | (2,-1,-1,-1) |
| 25.68 | 3.4690 | 1.7 | (2,-1,-1,1) |
| 27.64 | 3.2274 | 10.4 | (2,-2,0,0) |
| 28.38 | 3.1448 | 1.0 | (0,0,0,3) |
| 29.16 | 3.0628 | 5.6 | (2,0,-2,-1) |
| 29.16 | 3.0622 | 16.1 | (2,0,-2,1) |
| 30.48 | 2.9325 | 14.8 | (1,1,-2,-2) |
| 30.49 | 2.9314 | 15.2 | (1,1,-2,2) |
| 30.55 | 2.9264 | 32.0 | (2,-1,-1,-2) |
| 30.55 | 2.9259 | 30.5 | (2,-1,-1,2) |
| 31.63 | 2.8285 | 2.5 | (1,0,-1,3) |
| 33.57 | 2.6699 | 3.2 | (0,2,-2,-2) |
Energy Properties
Formation Energy/atom
-0.75257
eV/atom
Energy/atom
-20.14312
eV/atom
Energy above Hull
0.0010
eV/atom
Uncorrected Energy
-20.1431
eV/atom
Volume/atom
16.28
ų
c/a Ratio
1.2644
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
2.0386
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.978%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2977
smaller = more stable mixing
VEC
5.571
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.058
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-3295019
Reference Citation
The crystal structure and related material properties of Er2Ga9IrRh2 were obtained from the Materials Project database (MP-ID: mp-3295019, 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_Er2Ga9IrRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46137206
_cell_length_b 7.46137329
_cell_length_c 9.43441601
_cell_angle_alpha 90.01099637
_cell_angle_beta 90.01099319
_cell_angle_gamma 119.78610454
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Ga9IrRh2
_chemical_formula_sum 'Er4 Ga18 Ir2 Rh4'
_cell_volume 455.84281682
_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 0.99901027 0.66863379 0.24892939 1.0
Er Er1 1 0.00098973 0.33136621 0.75107061 1.0
Er Er2 1 0.66863379 0.99901027 0.24892939 1.0
Er Er3 1 0.33136621 0.00098973 0.75107061 1.0
Ga Ga4 1 0.33732219 0.54557906 0.25104180 1.0
Ga Ga5 1 0.66267781 0.45442094 0.74895820 1.0
Ga Ga6 1 0.54557906 0.33732219 0.25104180 1.0
Ga Ga7 1 0.45442094 0.66267781 0.74895820 1.0
Ga Ga8 1 0.00146394 0.33325931 0.08000445 1.0
Ga Ga9 1 0.99853606 0.66674069 0.91999555 1.0
Ga Ga10 1 0.99890641 0.66553929 0.57948825 1.0
Ga Ga11 1 0.33446071 0.00109359 0.42051175 1.0
Ga Ga12 1 0.00109359 0.33446071 0.42051175 1.0
Ga Ga13 1 0.66553929 0.99890641 0.57948825 1.0
Ga Ga14 1 0.66674069 0.99853606 0.91999555 1.0
Ga Ga15 1 0.33325931 0.00146394 0.08000445 1.0
Ga Ga16 1 0.33312624 0.33312624 0.56830107 1.0
Ga Ga17 1 0.66687376 0.66687376 0.43169893 1.0
Ga Ga18 1 0.66687208 0.66687208 0.06798541 1.0
Ga Ga19 1 0.33312792 0.33312792 0.93201459 1.0
Ga Ga20 1 0.12568520 0.12568520 0.25019920 1.0
Ga Ga21 1 0.87431480 0.87431480 0.74980080 1.0
Ir Ir22 1 0.67188506 0.32811494 0.00000000 1.0
Ir Ir23 1 0.32811494 0.67188506 1.00000000 1.0
Rh Rh24 1 0.32851769 0.67148231 0.50000000 1.0
Rh Rh25 1 0.67148231 0.32851769 0.50000000 1.0
Rh Rh26 1 0.00000000 0.00000000 0.00000000 1.0
Rh Rh27 1 0.00000000 0.00000000 0.50000000 1.0
