Ho3Tm4Sn23Os6
High-Entropy Materials HEAMP-ID: mp-3292862 · Space group: Cm (#8)
Basic Information
Formula
Ho3Tm4Sn23Os6
MP-ID
mp-3292862
Elements
4
Sites
36
Density
10.0804
g/cm³
Volume
830.61
ų
Cell a
9.7967
Å
Cell b
9.7609
Å
Cell c
10.0177
Å
α Angle
90.00
°
β Angle
90.01
°
γ Angle
119.88
°
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 |
|---|---|---|---|
| 8.83 | 10.0177 | 10.4 | (0,0,1) |
| 13.67 | 6.4793 | 2.3 | (1,0,-1) |
| 13.67 | 6.4784 | 9.4 | (1,0,1) |
| 13.70 | 6.4653 | 17.9 | (1,-1,-1) |
| 13.70 | 6.4648 | 5.2 | (0,1,1) |
| 17.71 | 5.0089 | 37.7 | (0,0,2) |
| 18.11 | 4.8983 | 9.3 | (1,1,0) |
| 18.18 | 4.8804 | 4.4 | (1,-2,0) |
| 22.74 | 3.9105 | 13.2 | (2,0,-1) |
| 22.74 | 3.9101 | 3.9 | (2,0,1) |
| 22.81 | 3.8983 | 6.6 | (0,2,-1) |
| 22.81 | 3.8981 | 25.7 | (0,2,1) |
| 25.43 | 3.5023 | 5.2 | (1,1,-2) |
| 25.44 | 3.5018 | 5.3 | (1,1,2) |
| 25.48 | 3.4955 | 4.9 | (1,-2,2) |
| 27.53 | 3.2397 | 4.5 | (2,0,-2) |
| 27.54 | 3.2392 | 6.6 | (2,0,2) |
| 27.59 | 3.2326 | 14.4 | (2,-2,-2) |
| 27.60 | 3.2324 | 8.8 | (0,2,2) |
| 29.22 | 3.0561 | 4.9 | (2,1,-1) |
| 29.27 | 3.0515 | 2.4 | (1,2,1) |
| 29.27 | 3.0515 | 2.4 | (3,-2,1) |
| 29.34 | 3.0444 | 5.0 | (1,-3,-1) |
| 32.45 | 2.7593 | 12.1 | (2,-1,-3) |
Energy Properties
Formation Energy/atom
-0.37960
eV/atom
Energy/atom
-31.66299
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.6630
eV/atom
Volume/atom
23.07
ų
c/a Ratio
1.0226
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
1.0361
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6139
J/mol·K
Ω Parameter
1.6251
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
8.023%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3163
smaller = more stable mixing
VEC
6.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
6.468
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7474
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292862
Reference Citation
The crystal structure and related material properties of Ho3Tm4Sn23Os6 were obtained from the Materials Project database (MP-ID: mp-3292862, 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_Ho3Tm4Sn23Os6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.79672179
_cell_length_b 9.76086064
_cell_length_c 10.01770166
_cell_angle_alpha 89.99999696
_cell_angle_beta 90.00735358
_cell_angle_gamma 119.87898009
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho3Tm4Sn23Os6
_chemical_formula_sum 'Ho3 Tm4 Sn23 Os6'
_cell_volume 830.60765557
_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 0.00076948 0.00038474 0.00001862 1.0
Ho Ho1 1 0.48608235 0.97207048 0.30100617 1.0
Ho Ho2 1 0.48608235 0.51401287 0.30100617 1.0
Tm Tm3 1 0.51294461 0.48724911 0.70000437 1.0
Tm Tm4 1 0.51294461 0.02569450 0.70000437 1.0
Tm Tm5 1 0.97547578 0.48773739 0.70074075 1.0
Tm Tm6 1 0.02456612 0.51228306 0.29934967 1.0
Sn Sn7 1 0.66625422 0.33312661 0.17064519 1.0
Sn Sn8 1 0.66645378 0.33322689 0.86405275 1.0
Sn Sn9 1 0.33176855 0.66588478 0.13416272 1.0
Sn Sn10 1 0.34994504 0.35007324 0.99954757 1.0
Sn Sn11 1 0.00012015 0.64997430 0.99985271 1.0
Sn Sn12 1 0.65047924 0.00024994 0.00032840 1.0
Sn Sn13 1 0.65047924 0.65023030 0.00032840 1.0
Sn Sn14 1 0.33360141 0.66680170 0.82913310 1.0
Sn Sn15 1 0.44266962 0.22133531 0.46429754 1.0
Sn Sn16 1 0.22342208 0.77881402 0.53638956 1.0
Sn Sn17 1 0.22342208 0.44460705 0.53638956 1.0
Sn Sn18 1 0.55749656 0.77874778 0.53656896 1.0
Sn Sn19 1 0.11767950 0.88244036 0.27922369 1.0
Sn Sn20 1 0.77666892 0.55567927 0.46412778 1.0
Sn Sn21 1 0.77666892 0.22099066 0.46412778 1.0
Sn Sn22 1 0.34994504 0.99987179 0.99954757 1.0
Sn Sn23 1 0.11767950 0.23524013 0.27922369 1.0
Sn Sn24 1 0.76741385 0.88370692 0.27982315 1.0
Sn Sn25 1 0.23401002 0.11700451 0.71964388 1.0
Sn Sn26 1 0.88212824 0.76471105 0.72068691 1.0
Sn Sn27 1 0.88212824 0.11741619 0.72068691 1.0
Sn Sn28 1 0.00013282 0.00006641 0.50010719 1.0
Sn Sn29 1 0.00012015 0.35014585 0.99985271 1.0
Os Os30 1 0.17002939 0.82904089 0.79760067 1.0
Os Os31 1 0.17002939 0.34098750 0.79760067 1.0
Os Os32 1 0.65835808 0.82917854 0.79780329 1.0
Os Os33 1 0.34095351 0.17047675 0.20190260 1.0
Os Os34 1 0.83054009 0.65907772 0.20210795 1.0
Os Os35 1 0.83054009 0.17146337 0.20210795 1.0
