Basic Information
Formula
Ho20CuRh11
MP-ID
mp-3293662
Elements
3
Sites
32
Density
10.1689
g/cm³
Volume
733.87
ų
Cell a
10.8181
Å
Cell b
10.8181
Å
Cell c
6.2710
Å
α Angle
90.03
°
β Angle
90.03
°
γ Angle
89.49
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 8.17 | 10.8177 | 1.7 | (1,0,0) |
| 11.52 | 7.6835 | 2.7 | (1,1,0) |
| 16.39 | 5.4088 | 7.9 | (2,0,0) |
| 23.18 | 3.8376 | 1.1 | (2,1,1) |
| 23.36 | 3.8077 | 1.8 | (2,-2,0) |
| 25.98 | 3.4300 | 16.5 | (3,1,0) |
| 26.12 | 3.4118 | 17.2 | (3,-1,0) |
| 29.66 | 3.0120 | 35.0 | (1,0,-2) |
| 29.67 | 3.0111 | 37.0 | (1,0,2) |
| 29.68 | 3.0102 | 53.7 | (3,1,-1) |
| 29.70 | 3.0084 | 58.3 | (3,1,1) |
| 29.81 | 2.9974 | 56.9 | (3,-1,-1) |
| 29.82 | 2.9965 | 28.4 | (1,-3,-1) |
| 29.82 | 2.9965 | 28.4 | (3,-1,1) |
| 30.79 | 2.9039 | 2.1 | (1,1,-2) |
| 30.81 | 2.9023 | 2.0 | (1,1,2) |
| 30.84 | 2.8994 | 4.3 | (1,-1,2) |
| 32.98 | 2.7164 | 43.1 | (3,2,-1) |
| 33.00 | 2.7147 | 33.1 | (3,2,1) |
| 33.01 | 2.7133 | 21.5 | (2,0,-2) |
| 33.03 | 2.7120 | 21.2 | (2,0,2) |
| 33.12 | 2.7044 | 1.4 | (4,0,0) |
| 33.12 | 2.7044 | 1.4 | (0,4,0) |
| 33.21 | 2.6976 | 36.2 | (3,-2,-1) |
Energy Properties
Formation Energy/atom
-0.76681
eV/atom
Energy/atom
-29.95344
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.9534
eV/atom
Volume/atom
22.93
ų
c/a Ratio
0.5797
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.2008
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000270
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.625
Element Family
Lanthanide
Solute Fraction
0.375
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.7691
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.3945
J/mol·K
Ω Parameter
20.1452
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.617%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4972
smaller = more stable mixing
VEC
10.313
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.602
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7001
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293662
Reference Citation
The crystal structure and related material properties of Ho20CuRh11 were obtained from the Materials Project database (MP-ID: mp-3293662, 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_Ho20CuRh11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.81808644
_cell_length_b 10.81808610
_cell_length_c 6.27097402
_cell_angle_alpha 90.03185800
_cell_angle_beta 90.03186228
_cell_angle_gamma 89.49065427
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho20CuRh11
_chemical_formula_sum 'Ho20 Cu1 Rh11'
_cell_volume 733.86907807
_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 0.29241932 0.09091184 0.38158347 1.0
Ho Ho1 1 0.29136360 0.91565747 0.88051205 1.0
Ho Ho2 1 0.70956510 0.08999956 0.88150332 1.0
Ho Ho3 1 0.70933371 0.91131351 0.38324510 1.0
Ho Ho4 1 0.59346894 0.79348233 0.88220715 1.0
Ho Ho5 1 0.58922816 0.20918708 0.37886653 1.0
Ho Ho6 1 0.41392810 0.79447110 0.37524029 1.0
Ho Ho7 1 0.41125478 0.21099704 0.87978827 1.0
Ho Ho8 1 0.20651767 0.40653106 0.61779285 1.0
Ho Ho9 1 0.20552890 0.58607190 0.12475971 1.0
Ho Ho10 1 0.79081292 0.41077184 0.12113347 1.0
Ho Ho11 1 0.78900296 0.58874522 0.62021173 1.0
Ho Ho12 1 0.90908816 0.70758068 0.11841653 1.0
Ho Ho13 1 0.91000044 0.29043490 0.61849668 1.0
Ho Ho14 1 0.08434253 0.70863640 0.61948795 1.0
Ho Ho15 1 0.08868649 0.29066629 0.11675490 1.0
Ho Ho16 1 0.00188017 0.00033189 0.49876661 1.0
Ho Ho17 1 0.99966811 0.99811983 0.00123339 1.0
Ho Ho18 1 0.50092747 0.50063249 0.99859571 1.0
Ho Ho19 1 0.49936751 0.49907253 0.50140429 1.0
Cu Cu20 1 0.34475912 0.65524088 0.75000000 1.0
Rh Rh21 1 0.84564162 0.15435838 0.25000000 1.0
Rh Rh22 1 0.84779264 0.84481652 0.74799036 1.0
Rh Rh23 1 0.15518348 0.15220736 0.75200964 1.0
Rh Rh24 1 0.15719204 0.84280796 0.25000000 1.0
Rh Rh25 1 0.65490351 0.34509649 0.75000000 1.0
Rh Rh26 1 0.65189394 0.65400288 0.24986164 1.0
Rh Rh27 1 0.34599712 0.34810606 0.25013836 1.0
Rh Rh28 1 0.49994344 0.00004655 0.12542250 1.0
Rh Rh29 1 0.50068779 0.00033220 0.62858963 1.0
Rh Rh30 1 0.99966780 0.49931221 0.87141037 1.0
Rh Rh31 1 0.99995345 0.50005656 0.37457750 1.0
