Ho2Ga9CoRu2
High-Entropy Materials HEAMP-ID: mp-3292748 · Space group: Cmcm (#63)
Basic Information
Formula
Ho2Ga9CoRu2
MP-ID
mp-3292748
Elements
4
Sites
28
Density
9.0124
g/cm³
Volume
449.00
ų
Cell a
7.4063
Å
Cell b
7.4063
Å
Cell c
9.5354
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.86
°
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 |
|---|---|---|---|
| 13.75 | 6.4416 | 11.0 | (1,-1,0,0) |
| 16.76 | 5.2898 | 1.9 | (1,0,-1,1) |
| 16.76 | 5.2898 | 1.9 | (0,1,-1,1) |
| 23.32 | 3.8143 | 2.0 | (1,0,-1,2) |
| 23.32 | 3.8143 | 2.0 | (0,1,-1,2) |
| 25.81 | 3.4516 | 13.7 | (2,-1,-1,1) |
| 25.81 | 3.4516 | 13.7 | (1,-2,1,1) |
| 26.11 | 3.4128 | 9.0 | (1,1,-2,1) |
| 27.70 | 3.2208 | 13.4 | (2,-2,0,0) |
| 28.07 | 3.1789 | 1.1 | (2,0,-2,0) |
| 28.07 | 3.1789 | 1.1 | (0,2,-2,0) |
| 29.62 | 3.0157 | 13.8 | (2,0,-2,1) |
| 29.62 | 3.0157 | 13.8 | (0,2,-2,1) |
| 30.57 | 2.9244 | 9.8 | (2,-1,-1,2) |
| 30.57 | 2.9244 | 9.8 | (1,-2,1,2) |
| 30.83 | 2.9007 | 16.2 | (1,1,-2,2) |
| 31.47 | 2.8430 | 1.4 | (1,0,-1,3) |
| 31.47 | 2.8430 | 1.4 | (0,1,-1,3) |
| 33.58 | 2.6689 | 8.7 | (2,-2,0,2) |
| 33.89 | 2.6449 | 14.4 | (2,0,-2,2) |
| 33.89 | 2.6449 | 14.4 | (0,2,-2,2) |
| 36.99 | 2.4301 | 3.0 | (3,-2,-1,0) |
| 36.99 | 2.4301 | 3.0 | (2,-3,1,0) |
| 37.28 | 2.4118 | 100.0 | (2,-1,-1,3) |
Energy Properties
Formation Energy/atom
-0.55176
eV/atom
Energy/atom
-17.18255
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.1826
eV/atom
Volume/atom
16.04
ų
c/a Ratio
1.2875
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0008
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
5.2671
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.417%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2639
smaller = more stable mixing
VEC
5.286
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.528
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-3292748
Reference Citation
The crystal structure and related material properties of Ho2Ga9CoRu2 were obtained from the Materials Project database (MP-ID: mp-3292748, 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_Ho2Ga9CoRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40628775
_cell_length_b 7.40628056
_cell_length_c 9.53537903
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.85884625
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2Ga9CoRu2
_chemical_formula_sum 'Ho4 Ga18 Co2 Ru4'
_cell_volume 448.99900872
_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
Ho Ho0 1 0.99462702 0.65375849 0.25000000 1.0
Ho Ho1 1 0.00537298 0.34624151 0.75000000 1.0
Ho Ho2 1 0.65375849 0.99462602 0.25000000 1.0
Ho Ho3 1 0.34624151 0.00537398 0.75000000 1.0
Ga Ga4 1 0.10919843 0.10919743 0.25000000 1.0
Ga Ga5 1 0.89080157 0.89080257 0.75000000 1.0
Ga Ga6 1 0.00402015 0.32157566 0.07374098 1.0
Ga Ga7 1 0.99597985 0.67842434 0.92625902 1.0
Ga Ga8 1 0.99597985 0.67842434 0.57374098 1.0
Ga Ga9 1 0.32157666 0.00402015 0.42625902 1.0
Ga Ga10 1 0.00402015 0.32157566 0.42625902 1.0
Ga Ga11 1 0.67842334 0.99597985 0.57374098 1.0
Ga Ga12 1 0.67842334 0.99597985 0.92625902 1.0
Ga Ga13 1 0.32157666 0.00402015 0.07374098 1.0
Ga Ga14 1 0.33277138 0.33277138 0.56212897 1.0
Ga Ga15 1 0.66722862 0.66722862 0.43787103 1.0
Ga Ga16 1 0.66722862 0.66722862 0.06212897 1.0
Ga Ga17 1 0.33277138 0.33277138 0.93787103 1.0
Ga Ga18 1 0.33383291 0.54050084 0.25000000 1.0
Ga Ga19 1 0.66616709 0.45949916 0.75000000 1.0
Ga Ga20 1 0.54049984 0.33383291 0.25000000 1.0
Ga Ga21 1 0.45950016 0.66616709 0.75000000 1.0
Co Co22 1 0.00000000 0.00000000 0.00000000 1.0
Co Co23 1 0.00000000 0.00000000 0.50000000 1.0
Ru Ru24 1 0.67493133 0.32506967 0.00000000 1.0
Ru Ru25 1 0.32506867 0.67493033 0.00000000 1.0
Ru Ru26 1 0.32506867 0.67493033 0.50000000 1.0
Ru Ru27 1 0.67493133 0.32506967 0.50000000 1.0
