NaHo6Sn23Rh6
High-Entropy Materials HEAMP-ID: mp-3295627 · Space group: P-3m1 (#164)
Basic Information
Formula
NaHo6Sn23Rh6
MP-ID
mp-3295627
Elements
4
Sites
36
Density
8.7108
g/cm³
Volume
831.21
ų
Cell a
9.8118
Å
Cell b
9.8118
Å
Cell c
9.9697
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-3m1
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 |
|---|---|---|---|
| 10.41 | 8.4973 | 2.2 | (1,0,-1,0) |
| 10.41 | 8.4973 | 4.3 | (1,-1,0,0) |
| 13.69 | 6.4670 | 5.9 | (1,0,-1,1) |
| 17.79 | 4.9848 | 11.8 | (0,0,0,2) |
| 18.08 | 4.9059 | 6.9 | (2,-1,-1,0) |
| 20.17 | 4.4018 | 2.8 | (2,-1,-1,1) |
| 20.66 | 4.2996 | 2.1 | (1,0,-1,2) |
| 20.91 | 4.2487 | 1.2 | (2,0,-2,0) |
| 22.75 | 3.9085 | 9.7 | (2,0,-2,1) |
| 26.83 | 3.3232 | 2.4 | (0,0,0,3) |
| 27.59 | 3.2335 | 11.6 | (2,0,-2,2) |
| 29.21 | 3.0570 | 15.4 | (3,-1,-2,1) |
| 29.21 | 3.0570 | 7.7 | (2,-3,1,1) |
| 32.54 | 2.7514 | 41.4 | (2,-1,-1,3) |
| 32.87 | 2.7246 | 50.0 | (3,0,-3,1) |
| 32.87 | 2.7246 | 100.0 | (3,-3,0,1) |
| 33.18 | 2.6998 | 76.2 | (3,-1,-2,2) |
| 34.26 | 2.6176 | 75.5 | (2,0,-2,3) |
| 36.03 | 2.4924 | 21.3 | (0,0,0,4) |
| 36.49 | 2.4627 | 65.5 | (3,0,-3,2) |
| 36.63 | 2.4530 | 35.9 | (4,-2,-2,0) |
| 36.63 | 2.4530 | 18.0 | (2,-4,2,0) |
| 37.61 | 2.3917 | 33.1 | (1,0,-1,4) |
| 37.77 | 2.3819 | 2.2 | (4,-2,-2,1) |
Energy Properties
Formation Energy/atom
-0.56755
eV/atom
Energy/atom
-25.97955
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.9796
eV/atom
Volume/atom
23.09
ų
c/a Ratio
1.0161
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0010
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
Sn · 0.639
Element Family
PostTransition-Noble
Solute Fraction
0.361
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9830
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1729
J/mol·K
Ω Parameter
27.7926
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.604%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3549
smaller = more stable mixing
VEC
5.917
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.293
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7091
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295627
Reference Citation
The crystal structure and related material properties of NaHo6Sn23Rh6 were obtained from the Materials Project database (MP-ID: mp-3295627, 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_NaHo6Sn23Rh6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.81183970
_cell_length_b 9.81183812
_cell_length_c 9.96965690
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999869
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaHo6Sn23Rh6
_chemical_formula_sum 'Na1 Ho6 Sn23 Rh6'
_cell_volume 831.21174072
_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
Na Na0 1 0.00000000 0.00000000 0.00000000 1.0
Ho Ho1 1 0.51866798 0.48133202 0.69479580 1.0
Ho Ho2 1 0.51866798 0.03733597 0.69479580 1.0
Ho Ho3 1 0.96266403 0.48133202 0.69479580 1.0
Ho Ho4 1 0.03733597 0.51866798 0.30520420 1.0
Ho Ho5 1 0.48133202 0.96266403 0.30520420 1.0
Ho Ho6 1 0.48133202 0.51866798 0.30520420 1.0
Sn Sn7 1 0.66666700 0.33333300 0.18036373 1.0
Sn Sn8 1 0.66666700 0.33333300 0.87937722 1.0
Sn Sn9 1 0.33333300 0.66666700 0.12062278 1.0
Sn Sn10 1 0.34860527 0.34860527 0.00000000 1.0
Sn Sn11 1 0.00000000 0.65139473 0.00000000 1.0
Sn Sn12 1 0.65139473 1.00000000 0.00000000 1.0
Sn Sn13 1 0.65139473 0.65139473 0.00000000 1.0
Sn Sn14 1 0.33333300 0.66666700 0.81963627 1.0
Sn Sn15 1 0.44601435 0.22300767 0.45992893 1.0
Sn Sn16 1 0.22300767 0.77699233 0.54007107 1.0
Sn Sn17 1 0.22300767 0.44601435 0.54007107 1.0
Sn Sn18 1 0.55398565 0.77699233 0.54007107 1.0
Sn Sn19 1 0.11733477 0.88266523 0.27964125 1.0
Sn Sn20 1 0.77699233 0.55398565 0.45992893 1.0
Sn Sn21 1 0.77699233 0.22300767 0.45992893 1.0
Sn Sn22 1 0.34860527 0.00000000 0.00000000 1.0
Sn Sn23 1 0.11733477 0.23466953 0.27964125 1.0
Sn Sn24 1 0.76533047 0.88266523 0.27964125 1.0
Sn Sn25 1 0.23466953 0.11733477 0.72035875 1.0
Sn Sn26 1 0.88266523 0.76533047 0.72035875 1.0
Sn Sn27 1 0.88266523 0.11733477 0.72035875 1.0
Sn Sn28 1 0.00000000 0.00000000 0.50000000 1.0
Sn Sn29 1 0.00000000 0.34860527 0.00000000 1.0
Rh Rh30 1 0.17158201 0.82841799 0.79682791 1.0
Rh Rh31 1 0.17158201 0.34316503 0.79682791 1.0
Rh Rh32 1 0.65683497 0.82841799 0.79682791 1.0
Rh Rh33 1 0.34316503 0.17158201 0.20317209 1.0
Rh Rh34 1 0.82841799 0.65683497 0.20317209 1.0
Rh Rh35 1 0.82841799 0.17158201 0.20317209 1.0
