Ho6CoSi12Rh17
High-Entropy Materials HEAMP-ID: mp-3293626 · Space group: Pmm2 (#25)
Basic Information
Formula
Ho6CoSi12Rh17
MP-ID
mp-3293626
Elements
4
Sites
36
Density
9.2774
g/cm³
Volume
561.11
ų
Cell a
3.9293
Å
Cell b
11.1973
Å
Cell c
12.7532
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pmm2
Point Group
mm2
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 |
|---|---|---|---|
| 23.69 | 3.7551 | 2.4 | (1,0,1) |
| 24.00 | 3.7077 | 1.2 | (1,1,0) |
| 25.01 | 3.5603 | 2.4 | (1,1,1) |
| 26.65 | 3.3452 | 2.7 | (1,0,2) |
| 27.69 | 3.2212 | 17.6 | (0,3,2) |
| 27.99 | 3.1883 | 6.8 | (0,0,4) |
| 28.62 | 3.1186 | 7.7 | (1,2,1) |
| 30.99 | 2.8855 | 2.2 | (1,0,3) |
| 31.15 | 2.8717 | 1.1 | (1,2,2) |
| 31.91 | 2.8048 | 4.6 | (0,3,3) |
| 31.97 | 2.7993 | 1.3 | (0,4,0) |
| 32.03 | 2.7942 | 3.9 | (1,1,3) |
| 32.75 | 2.7342 | 2.6 | (0,4,1) |
| 33.86 | 2.6472 | 3.8 | (1,3,1) |
| 34.98 | 2.5649 | 5.4 | (1,2,3) |
| 35.01 | 2.5632 | 2.6 | (0,4,2) |
| 35.19 | 2.5506 | 1.8 | (0,0,5) |
| 36.05 | 2.4911 | 100.0 | (1,3,2) |
| 36.12 | 2.4869 | 1.8 | (0,1,5) |
| 36.29 | 2.4758 | 41.8 | (1,0,4) |
| 37.08 | 2.4242 | 3.7 | (0,3,4) |
| 37.19 | 2.4174 | 10.3 | (1,1,4) |
| 38.51 | 2.3380 | 2.9 | (0,4,3) |
| 38.80 | 2.3211 | 14.2 | (0,2,5) |
Energy Properties
Formation Energy/atom
-1.10881
eV/atom
Energy/atom
-21.27890
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-21.2789
eV/atom
Volume/atom
15.59
ų
c/a Ratio
3.2456
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0015
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
Rh · 0.472
Element Family
4d-TM
Solute Fraction
0.528
Interstitial Fraction
0.333
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.1187
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.3007
J/mol·K
Ω Parameter
2.6251
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.409%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3722
smaller = more stable mixing
VEC
7.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-6.933
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8070
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293626
Reference Citation
The crystal structure and related material properties of Ho6CoSi12Rh17 were obtained from the Materials Project database (MP-ID: mp-3293626, 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_Ho6CoSi12Rh17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92933699
_cell_length_b 11.19725420
_cell_length_c 12.75319918
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6CoSi12Rh17
_chemical_formula_sum 'Ho6 Co1 Si12 Rh17'
_cell_volume 561.11251644
_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
Ho Ho0 1 0.00000000 0.50000000 0.52633613 1.0
Ho Ho1 1 0.50000000 0.00000000 0.47362720 1.0
Ho Ho2 1 0.50000000 0.81743700 0.20330599 1.0
Ho Ho3 1 0.50000000 0.18256300 0.20330599 1.0
Ho Ho4 1 0.00000000 0.68816801 0.79687253 1.0
Ho Ho5 1 0.00000000 0.31183199 0.79687253 1.0
Co Co6 1 0.50000000 0.00000000 0.02520105 1.0
Si Si7 1 0.50000000 0.30489687 0.61615480 1.0
Si Si8 1 0.50000000 0.69510313 0.61615480 1.0
Si Si9 1 0.00000000 0.19509987 0.38371033 1.0
Si Si10 1 0.00000000 0.80490013 0.38371033 1.0
Si Si11 1 0.50000000 0.50000000 0.87626106 1.0
Si Si12 1 0.00000000 0.00000000 0.12145794 1.0
Si Si13 1 0.50000000 0.85963429 0.90010500 1.0
Si Si14 1 0.50000000 0.14036571 0.90010500 1.0
Si Si15 1 0.00000000 0.64872289 0.10236612 1.0
Si Si16 1 0.00000000 0.35127711 0.10236612 1.0
Si Si17 1 0.50000000 0.50000000 0.33878298 1.0
Si Si18 1 0.00000000 0.00000000 0.66018608 1.0
Rh Rh19 1 0.00000000 0.50000000 0.97570602 1.0
Rh Rh20 1 0.50000000 0.30135250 0.42987494 1.0
Rh Rh21 1 0.50000000 0.69864750 0.42987494 1.0
Rh Rh22 1 0.00000000 0.19830894 0.56991410 1.0
Rh Rh23 1 0.00000000 0.80169106 0.56991410 1.0
Rh Rh24 1 0.50000000 0.87810716 0.71336289 1.0
Rh Rh25 1 0.50000000 0.12189284 0.71336289 1.0
Rh Rh26 1 0.00000000 0.62226713 0.28651303 1.0
Rh Rh27 1 0.00000000 0.37773287 0.28651303 1.0
Rh Rh28 1 0.50000000 0.32912047 0.98686010 1.0
Rh Rh29 1 0.50000000 0.67087953 0.98686010 1.0
Rh Rh30 1 0.00000000 0.16421324 0.01297814 1.0
Rh Rh31 1 0.00000000 0.83578676 0.01297814 1.0
Rh Rh32 1 0.50000000 0.50000000 0.15396430 1.0
Rh Rh33 1 0.00000000 0.00000000 0.84530327 1.0
Rh Rh34 1 0.50000000 0.50000000 0.69242423 1.0
Rh Rh35 1 0.00000000 0.00000000 0.30671182 1.0
