Ho12ErTmRh6
High-Entropy Materials HEAMP-ID: mp-3296418 · Space group: P3m1 (#156)
Basic Information
Formula
Ho12ErTmRh6
MP-ID
mp-3296418
Elements
4
Sites
20
Density
9.7693
g/cm³
Volume
498.50
ų
Cell a
9.6780
Å
Cell b
9.6780
Å
Cell c
6.1457
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P3m1
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405
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 |
|---|---|---|---|
| 17.90 | 4.9561 | 5.2 | (1,0,-1,1) |
| 28.17 | 3.1679 | 2.1 | (1,-3,2,0) |
| 28.17 | 3.1679 | 10.4 | (3,-1,-2,0) |
| 29.06 | 3.0729 | 2.4 | (0,0,0,2) |
| 31.00 | 2.8851 | 42.2 | (1,0,-1,2) |
| 31.78 | 2.8158 | 100.0 | (3,-1,-2,1) |
| 32.04 | 2.7938 | 16.1 | (3,0,-3,0) |
| 34.58 | 2.5940 | 7.8 | (2,-1,-1,2) |
| 35.29 | 2.5433 | 16.8 | (0,3,-3,1) |
| 35.29 | 2.5433 | 33.6 | (3,0,-3,1) |
| 36.25 | 2.4781 | 39.2 | (2,0,-2,2) |
| 37.16 | 2.4195 | 32.2 | (4,-2,-2,0) |
| 40.92 | 2.2057 | 12.6 | (3,-1,-2,2) |
| 41.53 | 2.1742 | 9.4 | (4,-1,-3,1) |
| 43.18 | 2.0953 | 1.6 | (4,-4,0,0) |
| 43.79 | 2.0671 | 6.2 | (3,0,-3,2) |
| 45.59 | 1.9900 | 1.2 | (1,0,-1,3) |
| 45.75 | 1.9832 | 7.8 | (4,0,-4,1) |
| 49.53 | 1.8404 | 13.9 | (2,0,-2,3) |
| 49.68 | 1.8351 | 8.4 | (5,-2,-3,1) |
| 52.18 | 1.7530 | 4.3 | (4,-5,1,1) |
| 52.18 | 1.7530 | 4.3 | (5,-1,-4,1) |
| 52.89 | 1.7312 | 2.3 | (4,0,-4,2) |
| 53.25 | 1.7202 | 3.7 | (3,-1,-2,3) |
Energy Properties
Formation Energy/atom
-0.68145
eV/atom
Energy/atom
-31.10345
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.1035
eV/atom
Volume/atom
24.93
ų
c/a Ratio
0.6350
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0157
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.600
Element Family
Lanthanide
Solute Fraction
0.400
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9673
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.0418
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.548%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4802
smaller = more stable mixing
VEC
10.550
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6977
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3296418
Reference Citation
The crystal structure and related material properties of Ho12ErTmRh6 were obtained from the Materials Project database (MP-ID: mp-3296418, 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_Ho12ErTmRh6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.67795689
_cell_length_b 9.67795797
_cell_length_c 6.14569457
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999968
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho12ErTmRh6
_chemical_formula_sum 'Ho12 Er1 Tm1 Rh6'
_cell_volume 498.50442825
_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 0.75282487 0.87641193 0.98799554 1.0
Ho Ho1 1 0.87634740 0.12365260 0.48782036 1.0
Ho Ho2 1 0.54116460 0.45883540 0.79989815 1.0
Ho Ho3 1 0.08178907 0.54089404 0.29992676 1.0
Ho Ho4 1 0.45910596 0.91821093 0.29992676 1.0
Ho Ho5 1 0.54116460 0.08232920 0.79989815 1.0
Ho Ho6 1 0.91767080 0.45883540 0.79989815 1.0
Ho Ho7 1 0.45910596 0.54089404 0.29992676 1.0
Ho Ho8 1 0.12358807 0.24717513 0.98799554 1.0
Ho Ho9 1 0.87634740 0.75269380 0.48782036 1.0
Ho Ho10 1 0.24730620 0.12365260 0.48782036 1.0
Ho Ho11 1 0.12358807 0.87641193 0.98799554 1.0
Er Er12 1 0.33333300 0.66666700 0.78396903 1.0
Tm Tm13 1 0.66666700 0.33333300 0.28321872 1.0
Rh Rh14 1 0.18992947 0.81007053 0.56474090 1.0
Rh Rh15 1 0.38038781 0.19019390 0.06522338 1.0
Rh Rh16 1 0.80980610 0.61961219 0.06522338 1.0
Rh Rh17 1 0.18992947 0.37985995 0.56474090 1.0
Rh Rh18 1 0.62014005 0.81007053 0.56474090 1.0
Rh Rh19 1 0.80980610 0.19019390 0.06522338 1.0
