Ho6ZrSn23Ru6
High-Entropy Materials HEAMP-ID: mp-3293516 · Space group: Cm (#8)
Basic Information
Formula
Ho6ZrSn23Ru6
MP-ID
mp-3293516
Elements
4
Sites
36
Density
8.8985
g/cm³
Volume
824.36
ų
Cell a
9.7975
Å
Cell b
9.7975
Å
Cell c
9.9247
Å
α Angle
90.07
°
β Angle
89.93
°
γ Angle
120.08
°
Space Group
Cm
Point Group
m
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 |
|---|---|---|---|
| 8.91 | 9.9247 | 1.6 | (0,0,0,1) |
| 13.73 | 6.4484 | 3.8 | (1,0,-1,1) |
| 13.74 | 6.4462 | 2.9 | (1,-1,0,-1) |
| 17.87 | 4.9624 | 6.3 | (0,0,0,2) |
| 18.13 | 4.8927 | 1.3 | (1,1,-2,0) |
| 20.93 | 4.2442 | 1.2 | (2,-2,0,0) |
| 20.96 | 4.2389 | 1.3 | (2,0,-2,0) |
| 20.96 | 4.2389 | 1.3 | (0,2,-2,0) |
| 22.78 | 3.9044 | 1.6 | (2,-2,0,1) |
| 22.82 | 3.8972 | 1.5 | (2,0,-2,-1) |
| 25.57 | 3.4840 | 2.3 | (1,1,-2,2) |
| 26.95 | 3.3082 | 2.4 | (0,0,0,3) |
| 27.64 | 3.2277 | 1.6 | (2,-2,0,2) |
| 27.67 | 3.2242 | 2.7 | (2,0,-2,2) |
| 27.69 | 3.2220 | 4.5 | (2,0,-2,-2) |
| 28.97 | 3.0826 | 3.0 | (1,0,-1,3) |
| 29.25 | 3.0535 | 1.1 | (3,-2,-1,1) |
| 29.25 | 3.0535 | 1.1 | (2,-3,1,1) |
| 29.27 | 3.0511 | 1.6 | (3,-2,-1,-1) |
| 29.28 | 3.0498 | 1.8 | (3,-1,-2,-1) |
| 29.30 | 3.0486 | 1.3 | (2,1,-3,1) |
| 29.30 | 3.0481 | 1.6 | (2,1,-3,-1) |
| 29.30 | 3.0481 | 1.6 | (1,2,-3,1) |
| 32.64 | 2.7432 | 10.8 | (2,-1,-1,3) |
Energy Properties
Formation Energy/atom
-0.46657
eV/atom
Energy/atom
-26.62621
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-26.6262
eV/atom
Volume/atom
22.90
ų
c/a Ratio
1.0130
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
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
9.1711
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
7.884%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3156
smaller = more stable mixing
VEC
5.833
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.985
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-3293516
Reference Citation
The crystal structure and related material properties of Ho6ZrSn23Ru6 were obtained from the Materials Project database (MP-ID: mp-3293516, 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_Ho6ZrSn23Ru6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.79747404
_cell_length_b 9.79747251
_cell_length_c 9.92470443
_cell_angle_alpha 90.07088265
_cell_angle_beta 89.92911734
_cell_angle_gamma 120.08214300
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho6ZrSn23Ru6
_chemical_formula_sum 'Ho6 Zr1 Sn23 Ru6'
_cell_volume 824.35803050
_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 0.00164007 0.99835993 0.99881183 1.0
Ho Ho1 1 0.51587627 0.02976675 0.69823553 1.0
Ho Ho2 1 0.97023325 0.48412373 0.69823553 1.0
Ho Ho3 1 0.02932583 0.51518734 0.30249707 1.0
Ho Ho4 1 0.48481266 0.97067417 0.30249707 1.0
Ho Ho5 1 0.48482948 0.51517052 0.30094014 1.0
Zr Zr6 1 0.51092115 0.48907885 0.69861457 1.0
Sn Sn7 1 0.66690356 0.33309644 0.17545344 1.0
Sn Sn8 1 0.65925362 0.34074638 0.86350816 1.0
Sn Sn9 1 0.33261663 0.66738337 0.12954637 1.0
Sn Sn10 1 0.34949253 0.34937705 0.99967061 1.0
Sn Sn11 1 0.00058601 0.65107457 0.00078309 1.0
Sn Sn12 1 0.65169839 0.99790400 0.00017831 1.0
Sn Sn13 1 0.65062295 0.65050747 0.99967061 1.0
Sn Sn14 1 0.33324147 0.66675853 0.82362357 1.0
Sn Sn15 1 0.44809254 0.22690104 0.46491387 1.0
Sn Sn16 1 0.22436964 0.77563036 0.53768957 1.0
Sn Sn17 1 0.22647064 0.44596209 0.53807667 1.0
Sn Sn18 1 0.55403791 0.77352936 0.53807667 1.0
Sn Sn19 1 0.11641942 0.88358058 0.28053302 1.0
Sn Sn20 1 0.77309896 0.55190746 0.46491387 1.0
Sn Sn21 1 0.77578134 0.22421866 0.46289060 1.0
Sn Sn22 1 0.34892543 0.99941399 0.00078309 1.0
Sn Sn23 1 0.11617464 0.23323028 0.28008352 1.0
Sn Sn24 1 0.76676972 0.88382536 0.28008352 1.0
Sn Sn25 1 0.23924463 0.11991999 0.72015168 1.0
Sn Sn26 1 0.88008001 0.76075537 0.72015168 1.0
Sn Sn27 1 0.88452596 0.11547404 0.71924360 1.0
Sn Sn28 1 0.00119581 0.99880419 0.50181215 1.0
Sn Sn29 1 0.00209600 0.34830161 0.00017831 1.0
Ru Ru30 1 0.16950569 0.83049431 0.79746383 1.0
Ru Ru31 1 0.17326625 0.34123925 0.79664172 1.0
Ru Ru32 1 0.65876075 0.82673375 0.79664172 1.0
Ru Ru33 1 0.34006296 0.17067128 0.20282327 1.0
Ru Ru34 1 0.82932872 0.65993704 0.20282327 1.0
Ru Ru35 1 0.82973810 0.17026190 0.20175948 1.0
