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Ho9Tm11(Zn3Ru)2

High-Entropy Materials HEA

MP-ID: mp-3291582 · Space group: Cm (#8)

Basic Information

Formula
Ho9Tm11(Zn3Ru)2
MP-ID
mp-3291582
Elements
4
Sites
28
Density
9.2396
g/cm³
Volume
707.60
ų
Cell a
9.2963
Å
Cell b
9.3005
Å
Cell c
9.4516
Å
α Angle
90.00
°
β Angle
90.03
°
γ Angle
120.01
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
Yes
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
10.99 8.0533 6.3 (0,1,-1,0)
10.99 8.0532 6.3 (1,-1,0,0)
10.99 8.0497 5.3 (1,0,-1,0)
14.45 6.1310 5.8 (0,1,-1,-1)
14.45 6.1309 5.8 (1,-1,0,-1)
14.45 6.1304 6.5 (1,0,-1,-1)
14.45 6.1289 5.7 (0,1,-1,1)
14.45 6.1288 5.7 (1,-1,0,1)
14.46 6.1262 5.5 (1,0,-1,1)
18.78 4.7258 4.3 (0,0,0,2)
19.09 4.6502 1.2 (1,-2,1,0)
19.09 4.6482 1.4 (1,1,-2,0)
19.09 4.6481 1.4 (2,-1,-1,0)
21.80 4.0766 13.5 (1,0,-1,-2)
21.80 4.0765 13.2 (0,1,-1,-2)
21.80 4.0765 13.2 (1,-1,0,-2)
21.81 4.0752 13.0 (0,1,-1,2)
21.81 4.0752 13.0 (1,-1,0,2)
21.81 4.0742 13.2 (1,0,-1,2)
29.13 3.0655 30.3 (0,2,-2,-2)
29.13 3.0654 30.3 (2,-2,0,-2)
29.13 3.0652 30.5 (2,0,-2,-2)
29.14 3.0644 30.1 (0,2,-2,2)
29.14 3.0644 30.1 (2,-2,0,2)
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Energy Properties

Formation Energy/atom
-0.29150
eV/atom
Energy/atom
-28.38352
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.3835
eV/atom
Volume/atom
25.27
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0108
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tm · 0.393
Element Family
Lanthanide
Solute Fraction
0.607
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2505
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.3964
J/mol·K
Ω Parameter
77.3909
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.343%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2779
smaller = more stable mixing
VEC
11.786
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.216
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9020
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3291582
Reference Citation

The crystal structure and related material properties of Ho9Tm11(Zn3Ru)2 were obtained from the Materials Project database (MP-ID: mp-3291582, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Ho9Tm11(Zn3Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29625430
_cell_length_b   9.30046829
_cell_length_c   9.45158957
_cell_angle_alpha   90.00002698
_cell_angle_beta   90.03448106
_cell_angle_gamma   120.01356115
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho9Tm11(Zn3Ru)2
_chemical_formula_sum   'Ho9 Tm11 Zn6 Ru2'
_cell_volume   707.60163886
_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  0.00001000  0.00000384  0.49966267  1.0
  Ho  Ho1  1  0.00069572  0.00035048  0.99976978  1.0
  Ho  Ho2  1  0.58469834  0.79234789  0.05964228  1.0
  Ho  Ho3  1  0.54123397  0.45799656  0.25044346  1.0
  Ho  Ho4  1  0.54123956  0.08324034  0.25044331  1.0
  Ho  Ho5  1  0.91742973  0.45871766  0.24997428  1.0
  Ho  Ho6  1  0.45836980  0.54088048  0.74961640  1.0
  Ho  Ho7  1  0.45837474  0.91748735  0.74961879  1.0
  Ho  Ho8  1  0.08295790  0.54148074  0.74998415  1.0
  Tm  Tm9  1  0.20767195  0.79183291  0.44068588  1.0
  Tm  Tm10  1  0.20766972  0.41583792  0.44068664  1.0
  Tm  Tm11  1  0.58411997  0.79205938  0.44119956  1.0
  Tm  Tm12  1  0.79219307  0.20806921  0.55932689  1.0
  Tm  Tm13  1  0.79218844  0.58412108  0.55932633  1.0
  Tm  Tm14  1  0.41568803  0.20784171  0.55936013  1.0
  Tm  Tm15  1  0.79224386  0.20839358  0.94045820  1.0
  Tm  Tm16  1  0.79224198  0.58385157  0.94045795  1.0
  Tm  Tm17  1  0.41597685  0.20798877  0.94075645  1.0
  Tm  Tm18  1  0.20734414  0.79199746  0.05942746  1.0
  Tm  Tm19  1  0.20734296  0.41534964  0.05942537  1.0
  Zn  Zn20  1  0.88613181  0.11453334  0.25004854  1.0
  Zn  Zn21  1  0.88613050  0.77159994  0.25004477  1.0
  Zn  Zn22  1  0.22841345  0.11420491  0.25009481  1.0
  Zn  Zn23  1  0.11416381  0.88588034  0.74986538  1.0
  Zn  Zn24  1  0.11416515  0.22828885  0.74986268  1.0
  Zn  Zn25  1  0.77187467  0.88593528  0.74959535  1.0
  Ru  Ru26  1  0.33272765  0.66635692  0.25032942  1.0
  Ru  Ru27  1  0.66670122  0.33335484  0.74989306  1.0
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