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Ho5CoRuO12

High-Entropy Materials HEA

MP-ID: mp-3297072 · Space group: C2 (#5)

Basic Information

Formula
Ho5CoRuO12
MP-ID
mp-3297072
Elements
4
Sites
19
Density
8.2078
g/cm³
Volume
238.05
ų
Cell a
6.7261
Å
Cell b
6.7261
Å
Cell c
7.1319
Å
α Angle
74.48
°
β Angle
74.48
°
γ Angle
50.57
°
Space Group
C2
Point Group
2
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
15.25 5.8092 8.2 (1,1,0)
17.22 5.1503 1.9 (1,0,0)
20.20 4.3951 6.4 (1,0,1)
22.87 3.8885 1.5 (1,1,-1)
22.97 3.8713 4.4 (0,1,-1)
22.97 3.8713 4.4 (1,0,-1)
26.12 3.4118 2.5 (1,1,2)
26.16 3.4062 1.8 (0,0,2)
27.65 3.2262 2.7 (1,2,1)
27.65 3.2262 2.7 (2,1,1)
27.78 3.2114 48.0 (1,2,0)
27.78 3.2114 48.0 (2,1,0)
29.48 3.0299 100.0 (1,0,2)
30.78 2.9046 12.0 (2,2,0)
31.13 2.8729 22.1 (1,-1,0)
33.32 2.6892 6.1 (1,2,2)
33.32 2.6892 6.1 (2,1,2)
33.39 2.6837 10.5 (1,0,-2)
33.65 2.6636 1.9 (1,2,-1)
33.65 2.6636 1.9 (2,1,-1)
33.86 2.6471 12.1 (1,-1,1)
34.13 2.6271 25.6 (2,2,2)
34.23 2.6195 25.8 (1,1,-2)
34.84 2.5752 7.1 (0,2,0)
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Energy Properties

Formation Energy/atom
-3.02831
eV/atom
Energy/atom
-17.48809
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.4881
eV/atom
Volume/atom
12.53
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
2.0000
μB
Mag. Ordering
FiM
Mag. Sites
2
Magnetization/Volume
0.008400
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.632
Element Family
Metalloid-Nonmetal
Solute Fraction
0.368
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9515
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9107
J/mol·K
Ω Parameter
39.0209
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
52.040%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9813
smaller = more stable mixing
VEC
6.316
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.146
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6864
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3297072
Reference Citation

The crystal structure and related material properties of Ho5CoRuO12 were obtained from the Materials Project database (MP-ID: mp-3297072, 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_Ho5CoRuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72607776
_cell_length_b   6.72607890
_cell_length_c   7.13191634
_cell_angle_alpha   74.47786911
_cell_angle_beta   74.47786451
_cell_angle_gamma   50.57014572
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5CoRuO12
_chemical_formula_sum   'Ho5 Co1 Ru1 O12'
_cell_volume   238.04963073
_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  0.68907939  0.69524744  0.66703477  1.0
  Ho  Ho1  1  0.68993986  0.70473109  0.14162805  1.0
  Ho  Ho2  1  0.00257200  0.99742800  1.00000000  1.0
  Ho  Ho3  1  0.29526891  0.31006014  0.85837195  1.0
  Ho  Ho4  1  0.30475256  0.31092061  0.33296523  1.0
  Co  Co5  1  0.25305924  0.74694076  0.50000000  1.0
  Ru  Ru6  1  0.76571092  0.23428908  0.50000000  1.0
  O  O7  1  0.39960406  0.90669205  0.92553448  1.0
  O  O8  1  0.57376326  0.09571765  0.58188972  1.0
  O  O9  1  0.90428235  0.42623674  0.41811028  1.0
  O  O10  1  0.09330795  0.60039594  0.07446552  1.0
  O  O11  1  0.01070447  0.98991509  0.31895891  1.0
  O  O12  1  0.49791402  0.50116517  0.68091711  1.0
  O  O13  1  0.89842295  0.40441514  0.92512026  1.0
  O  O14  1  0.09956299  0.58244852  0.58051821  1.0
  O  O15  1  0.41755148  0.90043701  0.41948179  1.0
  O  O16  1  0.59558486  0.10157705  0.07487974  1.0
  O  O17  1  0.49883483  0.50208598  0.31908289  1.0
  O  O18  1  0.01008491  0.98929553  0.68104109  1.0
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